Geometry & MOs

Info

ID:	160010
PubChem CID:	57304378
Reduced:	FOH11C13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	403.251129
ΔH_f, kcal/mol:	-45.5
Dipole, Da:	1.85
IP(EA), eV:	-9.16(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[3,5,5-trimethyl-8-(3-methylbutylimino)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)OCF

DOS

IR

Vibrations