Geometry & MOs

Info

ID:	367533
PubChem CID:	127324901
Reduced:	SN2O3C17H30 (1)
Stoich.:	AB2C3D17E30 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-160.35
Dipole, Da:	9.22
IP(EA), eV:	-8.86(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-methylcyclohexyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations