Geometry & MOs

Info

ID:	298708
PubChem CID:	117654162
Reduced:	ClO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-116.98
Dipole, Da:	3.25
IP(EA), eV:	-9.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-4,4,5-trimethyl-3H-benzo[h]chromen-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CCC1=O)Cl

DOS

IR

Vibrations