Geometry & MOs

Info

ID:	52214
PubChem CID:	12015018
Reduced:	ON2H10C18 (1)
Stoich.:	AB2C10D18 (1)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	52.3
Dipole, Da:	2.92
IP(EA), eV:	-8.49(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-imino-1,4-dihydroisoquinolin-2-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C4N2C=NC5=CC=CC(=C54)C=C3

DOS

IR

Vibrations