Geometry & MOs

Info

ID:	399544
PubChem CID:	135040860
Reduced:	ClO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-103.67
Dipole, Da:	1.49
IP(EA), eV:	-8.05(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E,3E,5E)-2-(2-oxoethylidene)hepta-3,5-dienoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)C)Cl)OC)C

DOS

IR

Vibrations