Geometry & MOs

Info

ID:	386392
PubChem CID:	134981601
Reduced:	CoOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-18.48
Dipole, Da:	14.7
IP(EA), eV:	-11.42(-6.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-3a-methyl-2,3,6,7,8,9-hexahydro-1H-cyclopenta[c]isochromene

Drug info:

PubChemData

Smile

C[C@]12CCCC1=C3CCCCC3=CO2.C1=C[CH]C=C1.[Co]

DOS

IR

Vibrations