Geometry & MOs

Info

ID:	13110
PubChem CID:	221613
Reduced:	NOSC9H9 (1)
Stoich.:	ABCD9E9 (1)
Weight, g/mol:	179.040485
ΔH_f, kcal/mol:	-0.3
Dipole, Da:	4.74
IP(EA), eV:	-9.26(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-2,3-dimethylphenyl) thiocyanate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)SC#N)O

DOS

IR

Vibrations