Geometry & MOs

Info

ID:	66462
PubChem CID:	46504620
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	491.28964
ΔH_f, kcal/mol:	-98.29
Dipole, Da:	4.37
IP(EA), eV:	-8.4(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(diethylamino)benzoyl]amino]-N-[3-(diethylamino)propyl]-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)NCCOC

DOS

IR

Vibrations