Geometry & MOs

Info

ID:	78492
PubChem CID:	49693328
Reduced:	ClFN3O4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	419.104812
ΔH_f, kcal/mol:	-100.97
Dipole, Da:	6.58
IP(EA), eV:	-9.36(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations