Geometry & MOs

Info

ID:	159568
PubChem CID:	57288467
Reduced:	NO3C15H31 (1)
Stoich.:	AB3C15D31 (1)
Weight, g/mol:	406.250795
ΔH_f, kcal/mol:	-169.38
Dipole, Da:	3.74
IP(EA), eV:	-10.36(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-propoxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCC(=O)ON)O

DOS

IR

Vibrations