Geometry & MOs

Info

ID:	78489
PubChem CID:	49693314
Reduced:	FCl2N2O2H19C20 (1)
Stoich.:	AB2C2D2E19F20 (1)
Weight, g/mol:	408.080761
ΔH_f, kcal/mol:	-110.76
Dipole, Da:	4.8
IP(EA), eV:	-9.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations