Geometry & MOs

Info

ID:	333
PubChem CID:	2605
Reduced:	O3C26H26 (1)
Stoich.:	A3B26C26 (1)
Weight, g/mol:	386.188195
ΔH_f, kcal/mol:	-88.97
Dipole, Da:	4.87
IP(EA), eV:	-9.57(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCC(C2=C1C=CC(=C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=O)O)(C)C)C

DOS

IR

Vibrations