Geometry & MOs

Info

ID:	373867
PubChem CID:	131320787
Reduced:	N2O2H8C9 (1)
Stoich.:	A2B2C8D9 (1)
Weight, g/mol:	193.073893
ΔH_f, kcal/mol:	-36.78
Dipole, Da:	2.82
IP(EA), eV:	-10.86(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-(4-hydroxyphenoxy)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1C(=O)O)C)C#N

DOS

IR

Vibrations