Geometry & MOs

Info

ID:	182771
PubChem CID:	76936563
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	-27.16
Dipole, Da:	1.22
IP(EA), eV:	-9.32(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(benzimidazol-1-yl)-2-methylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C=CN=C2C)C=CC(=O)O

DOS

IR

Vibrations