Geometry & MOs

Info

ID:	156300
PubChem CID:	56370017
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	426.99345
ΔH_f, kcal/mol:	-96.15
Dipole, Da:	9.78
IP(EA), eV:	-8.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-5-bromo-2-chloropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C)COC)C)/C=C(/C#N)\C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3O

DOS

IR

Vibrations