Geometry & MOs

Info

ID:	20187
PubChem CID:	582544
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	2.79
Dipole, Da:	4.52
IP(EA), eV:	-10.19(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-ethoxybenzamide

Drug info:

PubChemData

Smile

CCONC(=O)C1=CC=C(C=C1)C#N

DOS

IR

Vibrations