Geometry & MOs

Info

ID:	25597
PubChem CID:	627032
Reduced:	NO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	299.069477
ΔH_f, kcal/mol:	-59.13
Dipole, Da:	1.9
IP(EA), eV:	-8.75(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-yl)-2-(1,3-dioxoinden-2-ylidene)acetonitrile

Drug info:

PubChemData

Smile

CC12CCC3C(C1CC(=NOC)C2)CCC4=C3C=CC(=C4)O

DOS

IR

Vibrations