Geometry & MOs

Info

ID:	441996
PubChem CID:	135247612
Reduced:	F3O7C42H55 (1)
Stoich.:	A3B7C42D55 (1)
Weight, g/mol:	376.297745
ΔH_f, kcal/mol:	-446.15
Dipole, Da:	2.8
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[3-(ethoxymethoxy)-5-(4-pentylcyclohexyl)cyclohexa-1,3-dien-1-yl]but-2-en-1-ol

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2CCC(CC2)C3CCC(CC3)CCCCC(F)(F)F)C4=CC(=CC(=C4)OCOC(=O)C(=C)CO)OCOC(=C)C(=C)CO

DOS

IR

Vibrations