Geometry & MOs

Info

ID:	243794
PubChem CID:	99239631
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	464.267508
ΔH_f, kcal/mol:	-13.8
Dipole, Da:	3.17
IP(EA), eV:	-8.86(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1COCC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O

DOS

IR

Vibrations