Geometry & MOs

Info

ID:	78483
PubChem CID:	49693250
Reduced:	FN2O4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	385.143784
ΔH_f, kcal/mol:	-155.15
Dipole, Da:	1.59
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations