Geometry & MOs

Info

ID:	442008
PubChem CID:	135247781
Reduced:	O4C41H54 (1)
Stoich.:	A4B41C54 (1)
Weight, g/mol:	492.32396
ΔH_f, kcal/mol:	-150.66
Dipole, Da:	3.8
IP(EA), eV:	-8.88(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-methoxyethoxy)-5-[2-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenoxy]-2-methylidenebutan-1-ol

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC(=CC(=C4)OCCC(=C)CO)OCCC(=C)CO

DOS

IR

Vibrations