Geometry & MOs

Info

ID:	78491
PubChem CID:	49693322
Reduced:	FN2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	419.104812
ΔH_f, kcal/mol:	-175.91
Dipole, Da:	6.03
IP(EA), eV:	-8.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)NCC2CCN(CC2)C(=O)C3=CC=CC=C3F)OC

DOS

IR

Vibrations