Geometry & MOs

Info

ID:	327224
PubChem CID:	126689280
Reduced:	FN2O3H7C11 (1)
Stoich.:	AB2C3D7E11 (1)
Weight, g/mol:	456.17731
ΔH_f, kcal/mol:	-47.0
Dipole, Da:	8.03
IP(EA), eV:	-9.43(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-but-3-enyl-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CNC(=O)C(=C1)C2=CC(=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations