Geometry & MOs

Info

ID:	66467
PubChem CID:	46504627
Reduced:	N4O4C29H30 (1)
Stoich.:	A4B4C29D30 (1)
Weight, g/mol:	503.16925
ΔH_f, kcal/mol:	-74.33
Dipole, Da:	8.7
IP(EA), eV:	-8.33(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethoxybenzoyl)amino]-N-(3,4-dimethoxyphenyl)-1-oxoisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC=C4OCC

DOS

IR

Vibrations