Geometry & MOs

Info

ID:	59047
PubChem CID:	24770578
Reduced:	ClO3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	388.224974
ΔH_f, kcal/mol:	-116.41
Dipole, Da:	3.3
IP(EA), eV:	-8.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]ethanone

Drug info:

PubChemData

Smile

COCC1=C(C(=CC(=C1)O)Cl)O

DOS

IR

Vibrations