Geometry & MOs

Info

ID:	431338
PubChem CID:	135171413
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	946.460228
ΔH_f, kcal/mol:	31.36
Dipole, Da:	4.53
IP(EA), eV:	-8.49(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-N-[(6R)-2-[[3-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-6-(5,6,7,8-tetrahydroquinolin-6-ylcarbamoyl)pyridazin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-6-yl]-5-methylpyridazine-3-carboxamide

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

CC(=C)C(=C)N1CCC(CC1)OC2=CC=CC(=C2)C#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

CC(=C)C(=C)N1CCC(CC1)OC2=CC=CC(=C2)C#N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):