Geometry & MOs

Info

ID:	395057
PubChem CID:	135024530
Reduced:	VO7C10H28 (1)
Stoich.:	AB7C10D28 (1)
Weight, g/mol:	425.89253
ΔH_f, kcal/mol:	-460.23
Dipole, Da:	5.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764329
Charge, e:	0

Chem-info

IUPAC name:

3,6-dibromo-1,8-dimethoxyphenanthrene-9,10-dione

Drug info:

PubChemData

Smile

CC(CC(C)O)O.CC(CC(C)O)O.O.OO.[V]

DOS

IR

Vibrations