Geometry & MOs

Info

ID:	243795
PubChem CID:	99239635
Reduced:	NO2C14H18 (2)
Stoich.:	AB2C14D18 (2)
Weight, g/mol:	464.267508
ΔH_f, kcal/mol:	-132.85
Dipole, Da:	7.56
IP(EA), eV:	-8.93(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-1-butyl-N-[3-(cyclopropylmethoxymethyl)phenyl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1[C@@H]([C@H](CCC1=O)C(=O)NC2=CC=CC(=C2)COCC3CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations