Geometry & MOs

Info

ID:	237062
PubChem CID:	92717117
Reduced:	NO3H10C13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-141.76
Dipole, Da:	4.68
IP(EA), eV:	-8.63(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate

Drug info:

PubChemData

Smile

C1[C@@H](N(C2=CC=CC=C2O1)C(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

DOS

IR

Vibrations