Geometry & MOs

Info

ID:	339425
PubChem CID:	127261321
Reduced:	SO2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	308.188863
ΔH_f, kcal/mol:	1.59
Dipole, Da:	2.97
IP(EA), eV:	-8.52(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-methyl-2-phenylanilino)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)/C=C/S(=O)C2=CC=CC=C2

DOS

IR

Vibrations