Geometry & MOs

Info

ID:	217799
PubChem CID:	85088409
Reduced:	O3C11H20 (2)
Stoich.:	A3B11C20 (2)
Weight, g/mol:	400.26136
ΔH_f, kcal/mol:	-340.32
Dipole, Da:	1.57
IP(EA), eV:	-9.91(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butoxy-3-[5-(1,3-dimethyl-2-methylidenecyclohexyl)-3-methylpent-2-enyl]-2-hydroxycyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1C(OC(O1)(C)C)CCCCCCCCCC2COC(O2)(C)C

DOS

IR

Vibrations