Geometry & MOs

Info

ID:	327258
PubChem CID:	126689355
Reduced:	N3O4C15H21 (1)
Stoich.:	A3B4C15D21 (1)
Weight, g/mol:	474.187875
ΔH_f, kcal/mol:	-97.36
Dipole, Da:	4.16
IP(EA), eV:	-9.08(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1,3-dimethyl-2-oxopyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1(CCC(=O)N1C)C2=CC(=C(C=C2)NCCCO)[N+](=O)[O-]

DOS

IR

Vibrations