Geometry & MOs

Info

ID:	374895
PubChem CID:	131349693
Reduced:	OSN3C8H11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	-12.09
Dipole, Da:	3.51
IP(EA), eV:	-8.17(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-2-hydroxy-4-methylbenzonitrile

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(N1C)SC=C2N

DOS

IR

Vibrations