Geometry & MOs

Info

ID:	146520
PubChem CID:	53699867
Reduced:	BrNOCl2H8C15 (1)
Stoich.:	ABCD2E8F15 (1)
Weight, g/mol:	262.09938
ΔH_f, kcal/mol:	31.35
Dipole, Da:	0.7
IP(EA), eV:	-9.15(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-hydroxy-4a,12b-dihydro-3H-benzo[a]anthracen-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=C(O2)C3=C(C=C(C=C3)Cl)Cl)Br

DOS

IR

Vibrations