Geometry & MOs

Info

ID:	17128
PubChem CID:	484979
Reduced:	O2H9C13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	394.120509
ΔH_f, kcal/mol:	-74.98
Dipole, Da:	6.12
IP(EA), eV:	-9.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-bis(4-hydroxyphenyl)-6-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-5-one

Drug info:

PubChemData

Smile

C1CC2=CC=C3C4=C(C=CC1=C24)C(=O)OC3(C5=CC=C(C=C5)O)C6=CC=C(C=C6)O

DOS

IR

Vibrations