Geometry & MOs

Info

ID:	143042
PubChem CID:	53137968
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	417.161933
ΔH_f, kcal/mol:	-92.51
Dipole, Da:	5.83
IP(EA), eV:	-8.62(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(2-chloro-4-fluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC(=CC(=C2C=C1)C(=O)NC3=CC(=C(C=C3)OC)OC)NC(=O)C4CCC4

DOS

IR

Vibrations