Geometry & MOs

Info

ID:	78360
PubChem CID:	49689040
Reduced:	ClFN2O3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	406.085098
ΔH_f, kcal/mol:	-140.05
Dipole, Da:	7.71
IP(EA), eV:	-8.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[[(3,4-dichlorobenzoyl)amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2=C(C=CC=C2Cl)F)C(=O)OC3=CC=CC=C3

DOS

IR

Vibrations