Geometry & MOs

Info

ID:	411607
PubChem CID:	135084439
Reduced:	O4C9H14 (1)
Stoich.:	A4B9C14 (1)
Weight, g/mol:	228.089878
ΔH_f, kcal/mol:	-139.43
Dipole, Da:	1.3
IP(EA), eV:	-10.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(4-cyanophenyl)but-3-enylideneamino] acetate

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1C(O1)CCCO

DOS

IR

Vibrations