Geometry & MOs

Info

ID:	243120
PubChem CID:	99215743
Reduced:	ClN2O5C21H31 (1)
Stoich.:	AB2C5D21E31 (1)
Weight, g/mol:	356.192235
ΔH_f, kcal/mol:	-242.31
Dipole, Da:	3.13
IP(EA), eV:	-8.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-benzyl-N-methyl-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Cl)C(=O)NC2CCN(CC2)C(=O)OC(C)(C)C)OC

DOS

IR

Vibrations