Geometry & MOs

Info

ID:	139577
PubChem CID:	52561318
Reduced:	ClNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	372.027929
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	1.2
IP(EA), eV:	-8.92(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxo-2,3-dihydroinden-4-yl) 3-(trifluoromethoxy)benzenesulfonate

Drug info:

PubChemData

Smile

CCCCN(C)[C@H](C1=CC=CC=C1Cl)C(=O)OC

DOS

IR

Vibrations