Geometry & MOs

Info

ID:	242270
PubChem CID:	96099802
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-69.24
Dipole, Da:	4.49
IP(EA), eV:	-9.45(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylaminomethyl)-3-[(3R)-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