Geometry & MOs

Info

ID:	364990
PubChem CID:	127316640
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	363.186815
ΔH_f, kcal/mol:	27.83
Dipole, Da:	7.02
IP(EA), eV:	-9.74(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentylsulfonyl-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)N4CCCC(C4)(C)C5=CC=CC=C5

DOS

IR

Vibrations