Geometry & MOs

Info

ID:	127403
PubChem CID:	51000910
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-81.53
Dipole, Da:	3.44
IP(EA), eV:	-8.72(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)CC3CC3

DOS

IR

Vibrations