Geometry & MOs

Info

ID:	442005
PubChem CID:	135247750
Reduced:	OC4H5 (6)
Stoich.:	AB4C5 (6)
Weight, g/mol:	536.38656
ΔH_f, kcal/mol:	-234.31
Dipole, Da:	1.16
IP(EA), eV:	-8.49(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-ethyl-4-(4-pentylcyclohexyl)cyclohexa-1,5-dien-1-yl]-5-[3-(hydroxymethyl)but-3-enoxy]phenoxy]-2-methylidenebutan-1-ol

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=C(C=CC=C2OCCOC(=O)C)OCCOC=O

DOS

IR

Vibrations