Geometry & MOs

Info

ID:	169490
PubChem CID:	75110812
Reduced:	O7C25H32 (1)
Stoich.:	A7B25C32 (1)
Weight, g/mol:	404.219889
ΔH_f, kcal/mol:	-308.87
Dipole, Da:	3.61
IP(EA), eV:	-9.3(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5,8a-trimethyl-4-octa-2,4,6-trienoyloxy-1,2,3,4,4a,6,7,8-octahydronaphthalene-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=C2COC(=O)C2=C(C3=C1OC4(CCC5(C(C4C3)(CCC(=O)O5)C)C(C)(C)O)C)OC

DOS

IR

Vibrations