Geometry & MOs

Info

ID:	446679
PubChem CID:	135276880
Reduced:	OC15H18 (1)
Stoich.:	AB15C18 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-2.17
Dipole, Da:	2.92
IP(EA), eV:	-9.46(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E,4E)-5-(2-propylcyclohexa-1,5-dien-1-yl)penta-2,4-dienoate

Drug info:

PubChemData

Smile

CCC/C(=C\C1=CC=CC=C1)/C=C(\C)/C=O

DOS

IR

Vibrations