Geometry & MOs

Info

ID:	254192
PubChem CID:	103123299
Reduced:	N5H11C16 (1)
Stoich.:	A5B11C16 (1)
Weight, g/mol:	223.085795
ΔH_f, kcal/mol:	170.41
Dipole, Da:	12.34
IP(EA), eV:	-8.51(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(2-methyl-1H-pyrazol-5-ylidene)benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2/C(=C/3\N=C4C=CC(=CC4=N3)C#N)/N1

DOS

IR

Vibrations