Geometry & MOs

Info

ID:	427585
PubChem CID:	135160239
Reduced:	NOCl2C7H7 (1)
Stoich.:	ABC2D7E7 (1)
Weight, g/mol:	439.117747
ΔH_f, kcal/mol:	-15.75
Dipole, Da:	3.6
IP(EA), eV:	-9.66(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfinyl-2,3-dihydro-1H-indene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C=C(N=CC(=C1Cl)CO)Cl

DOS

IR

Vibrations