Geometry & MOs

Info

ID:	9923
PubChem CID:	94837
Reduced:	NOSC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	207.071785
ΔH_f, kcal/mol:	-11.89
Dipole, Da:	4.49
IP(EA), eV:	-9.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-2-methyl-5-propan-2-ylphenyl) thiocyanate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1SC#N)C(C)C)O

DOS

IR

Vibrations