Geometry & MOs

Info

ID:	442007
PubChem CID:	135247762
Reduced:	N2O5C24H34 (1)
Stoich.:	A2B5C24D34 (1)
Weight, g/mol:	610.40221
ΔH_f, kcal/mol:	28.87
Dipole, Da:	1.33
IP(EA), eV:	-8.75(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[3-(hydroxymethyl)but-3-enoxy]-5-[4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]phenyl]phenoxy]-2-methylidenebutan-1-ol

Drug info:

PubChemData

Smile

CCCCCCCC1=C(C=C(C=C1)OOC)C2=CC(=CC=C2)OOONC(=C)CNC

DOS

IR

Vibrations