Geometry & MOs

Info

ID:	374896
PubChem CID:	131349698
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	-43.78
Dipole, Da:	4.29
IP(EA), eV:	-8.8(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-4-hydroxy-2-methylbenzonitrile

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1C)O)C#N

DOS

IR

Vibrations