Geometry & MOs

Info

ID:	191316
PubChem CID:	78129869
Reduced:	O3C7H8 (1)
Stoich.:	A3B7C8 (1)
Weight, g/mol:	291.110673
ΔH_f, kcal/mol:	-65.39
Dipole, Da:	2.35
IP(EA), eV:	-9.59(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-(2-nitrobut-1-enyl)phenoxy]prop-2-enoate

Drug info:

PubChemData

Smile

COC1C(C=C(O1)C#C)O

DOS

IR

Vibrations