Geometry & MOs

Info

ID:	242266
PubChem CID:	96099798
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	8.01
IP(EA), eV:	-9.4(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(methylaminomethyl)-1-[(3R)-pyrrolidin-3-yl]benzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1[C@H]3CCNC3)C=CC(=C2)C(=O)O

DOS

IR

Vibrations