Geometry & MOs

Info

ID:	199146
PubChem CID:	79204275
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	4.55
IP(EA), eV:	-8.71(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-hydroxybutyl)-5,6-dimethylbenzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2NC(=O)CCCO

DOS

IR

Vibrations