Geometry & MOs

Info

ID:	185737
PubChem CID:	77342089
Reduced:	SiO4C25H47 (1)
Stoich.:	AB4C25D47 (1)
Weight, g/mol:	446.230453
ΔH_f, kcal/mol:	-259.59
Dipole, Da:	2.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753772
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(4-pentylcyclohexyl)prop-2-enoxy]phenyl]-1,3-dioxolane-4,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCCCC(C=C(C1CCCC(C1)(CCCC(=O)OC)O)O[Si](C)C)C(C)(C)C

DOS

IR

Vibrations