Geometry & MOs

Info

ID:	140734
PubChem CID:	52748723
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	302.235814
ΔH_f, kcal/mol:	-103.53
Dipole, Da:	7.7
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6R)-N-butyl-6-methyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CSC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations