Geometry & MOs

Info

ID:	383189
PubChem CID:	134974764
Reduced:	OH5C7 (4)
Stoich.:	AB5C7 (4)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-68.41
Dipole, Da:	0.71
IP(EA), eV:	-8.41(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,8aS)-3-methyl-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]furan-3a-ol

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C=CC(=O)OCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

DOS

IR

Vibrations