Geometry & MOs

Info

ID:	243235
PubChem CID:	99217495
Reduced:	N4O4C25H32 (1)
Stoich.:	A4B4C25D32 (1)
Weight, g/mol:	447.22887
ΔH_f, kcal/mol:	-80.36
Dipole, Da:	5.51
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6S)-N-butyl-1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]-6-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H]1CC[C@H](N(C1)C(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-])C

DOS

IR

Vibrations