Geometry & MOs

Info

ID:	380657
PubChem CID:	134971176
Reduced:	O5H16C23 (1)
Stoich.:	A5B16C23 (1)
Weight, g/mol:	318.089209
ΔH_f, kcal/mol:	-107.48
Dipole, Da:	2.7
IP(EA), eV:	-8.26(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxybenzo[a]anthracene-7,12-dione

Drug info:

PubChemData

Smile

COC1=C2C3=C(C4=CC=CC=C4C(=C3C(=O)C2=C(C5=CC=CC=C51)OC)O)O

DOS

IR

Vibrations