Geometry & MOs

Info

ID:	1164
PubChem CID:	3885
Reduced:	O3H14C15 (1)
Stoich.:	A3B14C15 (1)
Weight, g/mol:	242.094294
ΔH_f, kcal/mol:	-83.53
Dipole, Da:	7.02
IP(EA), eV:	-9.31(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C

DOS

IR

Vibrations