Geometry & MOs

Info

ID:	1033
PubChem CID:	3691
Reduced:	O2C11H15 (2)
Stoich.:	A2B11C15 (2)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	-147.06
Dipole, Da:	2.8
IP(EA), eV:	-9.57(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)OC)O)CCCC2=C)C

DOS

IR

Vibrations