Geometry & MOs

Info

ID:	55403
PubChem CID:	17395341
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	5.86
IP(EA), eV:	-9.04(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)NCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations