Geometry & MOs

Info

ID:	242272
PubChem CID:	96099804
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-72.38
Dipole, Da:	3.13
IP(EA), eV:	-9.4(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylaminomethyl)-3-[(3S)-pyrrolidin-3-yl]benzimidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC[C@@H]1C2=NOC(=N2)C(C)C)OCC3CC3

DOS

IR

Vibrations