Geometry & MOs

Info

ID:	218609
PubChem CID:	85089682
Reduced:	BrON7C22H26 (1)
Stoich.:	ABC7D22E26 (1)
Weight, g/mol:	484.115818
ΔH_f, kcal/mol:	51.04
Dipole, Da:	2.83
IP(EA), eV:	-8.77(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-(3,5-dihydroxyphenyl)ethenyl]-8b,14a-dihydrophenanthro[10,9-b][1,4]benzodioxine-2,4,6,7-tetrol

Drug info:

PubChemData

Smile

CCC(C1=CN=C2C(=N1)C(=O)N=C(N2C)NC)C34CCN(C3NC5=C4C=CC(=C5)Br)C

DOS

IR

Vibrations