Geometry & MOs

Info

ID:	78490
PubChem CID:	49693315
Reduced:	FCl2N2O2H19C20 (1)
Stoich.:	AB2C2D2E19F20 (1)
Weight, g/mol:	414.195486
ΔH_f, kcal/mol:	-105.93
Dipole, Da:	3.72
IP(EA), eV:	-9.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations