Geometry & MOs

Info

ID:	46293
PubChem CID:	10523767
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	379.179696
ΔH_f, kcal/mol:	-91.73
Dipole, Da:	5.19
IP(EA), eV:	-8.46(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-yl)-N,N'-dibenzyl-2-cyanoethanimidamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)N2CCC(CC2)N3C(=O)CCC4=CC=CC=C43)N

DOS

IR

Vibrations