Geometry & MOs

Info

ID:	254193
PubChem CID:	103123314
Reduced:	N5H9C12 (1)
Stoich.:	A5B9C12 (1)
Weight, g/mol:	227.117095
ΔH_f, kcal/mol:	159.11
Dipole, Da:	10.3
IP(EA), eV:	-8.38(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-2-(2-methyl-1H-pyrazol-5-ylidene)benzimidazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CN1C=C/C(=C/2\N=C3C=CC=C(C3=N2)C#N)/N1

DOS

IR

Vibrations