Geometry & MOs

Info

ID:	341405
PubChem CID:	127264098
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-57.67
Dipole, Da:	3.5
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoate

Drug info:

PubChemData

Smile

CCCC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)OC

DOS

IR

Vibrations