Geometry & MOs

Info

ID:	22742
PubChem CID:	598431
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-29.02
Dipole, Da:	3.52
IP(EA), eV:	-9.6(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=CC=CC=C1C)C#N

DOS

IR

Vibrations