Geometry & MOs

Info

ID:	310144
PubChem CID:	126575303
Reduced:	OC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	406.214409
ΔH_f, kcal/mol:	-91.87
Dipole, Da:	5.16
IP(EA), eV:	-10.42(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[10-(3,5-dihydroxycyclohexa-1,5-dien-1-yl)-1,2,3,4,4a,5,10,10a-octahydroanthracen-9-yl]cyclohexa-1,5-diene-1,3-diol

Drug info:

PubChemData

Smile

C1CC2C[C@H]1CC23CCOC3=O

DOS

IR

Vibrations