Geometry & MOs

Info

ID:	296213
PubChem CID:	117560920
Reduced:	ON2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	10.41
Dipole, Da:	6.06
IP(EA), eV:	-8.7(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(prop-2-enylamino)benzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=NC(=O)NC(=C2)C#N

DOS

IR

Vibrations