Geometry & MOs

Info

ID:	248196
PubChem CID:	103079600
Reduced:	SN5C8H9 (1)
Stoich.:	AB5C8D9 (1)
Weight, g/mol:	187.077933
ΔH_f, kcal/mol:	92.82
Dipole, Da:	4.63
IP(EA), eV:	-8.42(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-1-methylpyrazol-3-yl)sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)SC2=NC=CN=C2)N

DOS

IR

Vibrations