Geometry & MOs

Info

ID:	242265
PubChem CID:	96099797
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-19.79
Dipole, Da:	4.48
IP(EA), eV:	-9.49(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylaminomethyl)-1-[(3S)-pyrrolidin-3-yl]benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@@H]2CCCN2C(=O)CCCC3=CC=CC=N3

DOS

IR

Vibrations