Geometry & MOs

Info

ID:	25694
PubChem CID:	629325
Reduced:	O3H20C21 (1)
Stoich.:	A3B20C21 (1)
Weight, g/mol:	320.104859
ΔH_f, kcal/mol:	-53.17
Dipole, Da:	2.77
IP(EA), eV:	-9.77(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=CC=CC=C2C1=O)C(=O)C3=CCC(CC3)C(=C)C

DOS

IR

Vibrations