Geometry & MOs

Info

ID:	72282
PubChem CID:	48416002
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	412.171082
ΔH_f, kcal/mol:	-23.05
Dipole, Da:	2.1
IP(EA), eV:	-8.79(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2,4-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations