Geometry & MOs

Info

ID:	391664
PubChem CID:	135008046
Reduced:	ClN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	371.155515
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	4.31
IP(EA), eV:	-8.4(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylphenyl)sulfonylindol-2-yl]hexan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=C1)C2=C(C=CC(=C2)Cl)N

DOS

IR

Vibrations