Geometry & MOs

Info

ID:	26831
PubChem CID:	799161
Reduced:	O3H18C23 (1)
Stoich.:	A3B18C23 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-55.18
Dipole, Da:	3.3
IP(EA), eV:	-8.94(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R)-3,5-dimethyl-1-(4-nitrophenyl)sulfonylpiperidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)CC2=CC3=C(C=CC4=CC=CC=C43)OC2=O

DOS

IR

Vibrations