Geometry & MOs

Info

ID:	375111
PubChem CID:	131472496
Reduced:	NO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	179.058243
ΔH_f, kcal/mol:	-67.59
Dipole, Da:	4.42
IP(EA), eV:	-9.22(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2-(hydroxymethyl)-3-methoxybenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations