Geometry & MOs

Info

ID:	1221
PubChem CID:	4009
Reduced:	O5C25H36 (1)
Stoich.:	A5B25C36 (1)
Weight, g/mol:	416.256274
ΔH_f, kcal/mol:	-223.49
Dipole, Da:	5.24
IP(EA), eV:	-8.92(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[6-hydroxy-5-[4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CCC(=CCCC2=CCC(OC2O)C3=CC(=O)OC3O)C

DOS

IR

Vibrations