Geometry & MOs

Info

ID:	295360
PubChem CID:	117527293
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-70.85
Dipole, Da:	8.34
IP(EA), eV:	-8.85(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1C)C=CC(=C2)C(C)(C)CC(=O)O

DOS

IR

Vibrations