Geometry & MOs

Info

ID:	78359
PubChem CID:	49689007
Reduced:	F2N2O3C20H20 (1)
Stoich.:	A2B2C3D20E20 (1)
Weight, g/mol:	390.114648
ΔH_f, kcal/mol:	-181.54
Dipole, Da:	5.16
IP(EA), eV:	-9.16(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[[(2-chloro-6-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations