Geometry & MOs

Info

ID:	319452
PubChem CID:	126656081
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	304.094688
ΔH_f, kcal/mol:	-85.98
Dipole, Da:	5.58
IP(EA), eV:	-8.65(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9-hydroxy-1-methyl-5,10-dioxo-3,4,5a,9a-tetrahydro-1H-benzo[g]isochromen-3-yl)acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C2=CC=CC=C21)OCl

DOS

IR

Vibrations