Geometry & MOs

Info

ID:	234746
PubChem CID:	92303425
Reduced:	ON5H21C26 (1)
Stoich.:	AB5C21D26 (1)
Weight, g/mol:	289.121512
ΔH_f, kcal/mol:	117.14
Dipole, Da:	6.38
IP(EA), eV:	-8.59(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-(3-methylphenyl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(N4C5=CC=CC=C5N=C4C(=C3C)C#N)C)/C(=N2)C

DOS

IR

Vibrations