Geometry & MOs

Info

ID:	2018
PubChem CID:	5602
Reduced:	OC12H14 (2)
Stoich.:	AB12C14 (2)
Weight, g/mol:	348.20893
ΔH_f, kcal/mol:	-73.18
Dipole, Da:	7.71
IP(EA), eV:	-9.25(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C

DOS

IR

Vibrations