Geometry & MOs

Info

ID:	374893
PubChem CID:	131349677
Reduced:	NO2H4C5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	-42.98
Dipole, Da:	6.31
IP(EA), eV:	-10.71(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-2-hydroxy-6-methylbenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1[N+](=O)[O-])C#N)CC(=O)O

DOS

IR

Vibrations