Geometry & MOs

Info

ID:	217644
PubChem CID:	85088153
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	384.183778
ΔH_f, kcal/mol:	-117.0
Dipole, Da:	4.98
IP(EA), eV:	-8.42(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[1-(4-methylphenyl)ethyl]-1,2-dihydrobenzimidazol-2-yl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC12CCCN3C1C4(CC3)C(C(C2=O)(C(=O)OC)O)N(C5=CC=CC=C45)C

DOS

IR

Vibrations