Geometry & MOs

Info

ID:	79188
PubChem CID:	49747318
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-42.34
Dipole, Da:	3.84
IP(EA), eV:	-7.8(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)NC3CC3)C4=CC=CO4

DOS

IR

Vibrations