Geometry & MOs

Info

ID:	8968
PubChem CID:	84309
Reduced:	NO2C5H5 (1)
Stoich.:	AB2C5D5 (1)
Weight, g/mol:	111.032028
ΔH_f, kcal/mol:	-43.61
Dipole, Da:	5.81
IP(EA), eV:	-10.5(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyanoethenyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC=CC#N

DOS

IR

Vibrations