Geometry & MOs

Info

ID:	205462
PubChem CID:	80108125
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	235.089167
ΔH_f, kcal/mol:	-138.54
Dipole, Da:	4.49
IP(EA), eV:	-9.55(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylpyrimidin-4-yl)-4-methylsulfanylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CNC1COC1

DOS

IR

Vibrations