Geometry & MOs

Info

ID:	217507
PubChem CID:	85087917
Reduced:	Br2O4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	370.141638
ΔH_f, kcal/mol:	-169.06
Dipole, Da:	2.45
IP(EA), eV:	-10.61(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-hydroxy-4,5-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

CC(C(=O)OC1CC(C=C1)OC(=O)C(C)Br)Br

DOS

IR

Vibrations