Geometry & MOs

Info

ID:	315070
PubChem CID:	126624323
Reduced:	N2O3C9H18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-157.87
Dipole, Da:	4.92
IP(EA), eV:	-9.99(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-ethenyl-4-oxoocta-5,7-dienoic acid

Drug info:

PubChemData

Smile

CC(C)COC(=O)C(C)NC(=O)NC

DOS

IR

Vibrations