Geometry & MOs

Info

ID:	444520
PubChem CID:	135262718
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	286.229666
ΔH_f, kcal/mol:	-72.96
Dipole, Da:	5.04
IP(EA), eV:	-9.59(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-[(E)-3-ethoxy-2-methylprop-1-enyl]oct-1-enyl]benzene

Drug info:

PubChemData

Smile

CCCCCCC(=CC1=CC=CC=C1)/C=C(\C)/C(=O)O

DOS

IR

Vibrations