Geometry & MOs

Info

ID:	380565
PubChem CID:	134971047
Reduced:	Cl2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-86.19
Dipole, Da:	3.3
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,10bS)-spiro[1,2,3,4,4a,10b-hexahydrobenzo[c]chromene-6,1'-cyclohexane]-9-ol

Drug info:

PubChemData

Smile

CC1CC2=C(CO1)C(=C(C=C2Cl)Cl)OC

DOS

IR

Vibrations