Geometry & MOs

Info

ID:	80580
PubChem CID:	49835255
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	357.15896
ΔH_f, kcal/mol:	-20.75
Dipole, Da:	5.73
IP(EA), eV:	-8.65(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-cinnolin-6-ylmethylideneamino]-3-(3-methylindol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)C=C1)C2=CC=C(C=C2)N3C=C(C=CC3=O)C

DOS

IR

Vibrations