Geometry & MOs

Info

ID:	413196
PubChem CID:	135086142
Reduced:	NO2C6H11 (1)
Stoich.:	AB2C6D11 (1)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	-48.79
Dipole, Da:	3.29
IP(EA), eV:	-9.39(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-(2-ethynylphenyl)but-2-enoate

Drug info:

PubChemData

Smile

C/C=C/CC(=O)NOC

DOS

IR

Vibrations