Geometry & MOs

Info

ID:	66457
PubChem CID:	46504608
Reduced:	FO3N4H27C28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	514.22162
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	10.91
IP(EA), eV:	-8.57(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(diethylamino)benzoyl]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(=C(C=C4)C)F

DOS

IR

Vibrations