Geometry & MOs

Info

ID:	81923
PubChem CID:	49855357
Reduced:	OC4H5 (6)
Stoich.:	AB4C5 (6)
Weight, g/mol:	646.256668
ΔH_f, kcal/mol:	-218.06
Dipole, Da:	4.96
IP(EA), eV:	-8.52(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-1-(3-methylbut-2-enyl)-8-[4,6,7-trihydroxy-2-methoxy-8-(3-methylbut-2-enyl)phenanthren-1-yl]phenanthrene-2,3,5-triol

Drug info:

PubChemData

Smile

CC(=CCC1=C(C=C(C=C1OC)CCC2=C(C(=C(C=C2)OC(=O)C)O)OC)OC)C

DOS

IR

Vibrations