Geometry & MOs

Info

ID:	45584
PubChem CID:	10515228
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	256.067034
ΔH_f, kcal/mol:	-86.34
Dipole, Da:	3.17
IP(EA), eV:	-8.35(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-pyridin-3-ylsulfanyl-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(CC(CO2)C3=CC=CC=C3O)C=C1

DOS

IR

Vibrations