Geometry & MOs

Info

ID:	347673
PubChem CID:	127272539
Reduced:	SN3O4C16H29 (1)
Stoich.:	AB3C4D16E29 (1)
Weight, g/mol:	279.231063
ΔH_f, kcal/mol:	-181.57
Dipole, Da:	8.31
IP(EA), eV:	-8.68(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(=O)N(CC2CCCO2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations