Geometry & MOs

Info

ID:	345656
PubChem CID:	127269956
Reduced:	NSO3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	280.215078
ΔH_f, kcal/mol:	-169.02
Dipole, Da:	6.2
IP(EA), eV:	-10.12(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cycloheptanecarbonyl)piperazin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)C2CCCCCC2

DOS

IR

Vibrations