Geometry & MOs

Info

ID:	57225
PubChem CID:	22395505
Reduced:	OC6H10 (5)
Stoich.:	AB6C10 (5)
Weight, g/mol:	418.30831
ΔH_f, kcal/mol:	-285.53
Dipole, Da:	3.94
IP(EA), eV:	-8.6(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol

Drug info:

PubChemData

Smile

CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2=CC=C4C3(C(C(C(C4)O)OCCCO)O)C)C

DOS

IR

Vibrations