Geometry & MOs

Info

ID:	432201
PubChem CID:	135172333
Reduced:	O2N3C10H19 (1)
Stoich.:	A2B3C10D19 (1)
Weight, g/mol:	959.528248
ΔH_f, kcal/mol:	-93.35
Dipole, Da:	3.63
IP(EA), eV:	-9.13(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-ethoxypyridin-3-yl)-3-[4-[4-[[[6-(2-ethoxypyridin-3-yl)-2-(methylamino)-3-(2-methylpropanimidoyl)pyridin-4-yl]-[(2-methyltriazol-4-yl)methyl]amino]methyl]phenoxy]-2-methylbutanimidoyl]-4-N-[(4-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)/C(=C(\C(C)C)/N)/C(=NC)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)/C(=C(\C(C)C)/N)/C(=NC)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):