Geometry & MOs

Info

ID:	23007
PubChem CID:	600871
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	234.082684
ΔH_f, kcal/mol:	6.75
Dipole, Da:	5.36
IP(EA), eV:	-8.73(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanethione

Drug info:

PubChemData

Smile

CC1=NN(C(C1)(C)O)C(=S)C2=CC=CC=C2

DOS

IR

Vibrations