Geometry & MOs

Info

ID:	83853
PubChem CID:	49861843
Reduced:	Cl2N3C17H33 (1)
Stoich.:	A2B3C17D33 (1)
Weight, g/mol:	430.266542
ΔH_f, kcal/mol:	-84.28
Dipole, Da:	6.32
IP(EA), eV:	-8.56(1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(4-fluorocyclohexyl)-6-methylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1C2CCCCC2N3C1C4C(CC3)N(CCN4C)C.Cl.Cl

DOS

IR

Vibrations