Geometry & MOs

Info

ID:	242311
PubChem CID:	96099843
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	1.15
Dipole, Da:	8.4
IP(EA), eV:	-9.29(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-(methylaminomethyl)benzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@H]2CCCN2C(=O)CC3=CN(N=C3)C

DOS

IR

Vibrations