Geometry & MOs

Info

ID:	191114
PubChem CID:	78106439
Reduced:	O5C15H22 (1)
Stoich.:	A5B15C22 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	-246.18
Dipole, Da:	5.88
IP(EA), eV:	-10.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2(CCCC(C2CC1O)(C)C(=O)O)C)C(=O)O

DOS

IR

Vibrations