Geometry & MOs

Info

ID:	172989
PubChem CID:	75579371
Reduced:	BrNC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	746.257456
ΔH_f, kcal/mol:	32.93
Dipole, Da:	4.38
IP(EA), eV:	-7.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5,6-dihydroxy-3,4-bis[1-hydroxy-3-(4-methylphenyl)propoxy]oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(C(CC2=CC=CC=C2Br)N)N)Br

DOS

IR

Vibrations