Geometry & MOs

Info

ID:	247617
PubChem CID:	103072426
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	226.121846
ΔH_f, kcal/mol:	-41.87
Dipole, Da:	3.77
IP(EA), eV:	-8.72(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(aminomethyl)prop-2-enyl]benzimidazol-2-yl]acetonitrile

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C(=C(SC1=O)C)C

DOS

IR

Vibrations