Geometry & MOs

Info

ID:	409746
PubChem CID:	135082531
Reduced:	BC15H25 (1)
Stoich.:	AB15C25 (1)
Weight, g/mol:	468.120903
ΔH_f, kcal/mol:	-37.8
Dipole, Da:	0.52
IP(EA), eV:	-9.0(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,11,13-hexaen-9-one

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)C3CCCCC=C3

DOS

IR

Vibrations