Geometry & MOs

Info

ID:	2525
PubChem CID:	7825
Reduced:	NO2C6H7 (1)
Stoich.:	AB2C6D7 (1)
Weight, g/mol:	125.047678
ΔH_f, kcal/mol:	-44.43
Dipole, Da:	5.0
IP(EA), eV:	-11.37(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyanoethyl prop-2-enoate

Drug info:

PubChemData

Smile

C=CC(=O)OCCC#N

DOS

IR

Vibrations