Geometry & MOs

Info

ID:	248188
PubChem CID:	103079539
Reduced:	SN6C7H10 (1)
Stoich.:	AB6C7D10 (1)
Weight, g/mol:	237.068431
ΔH_f, kcal/mol:	98.24
Dipole, Da:	9.27
IP(EA), eV:	-8.47(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-1-methylpyrazol-3-yl)sulfanyl-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)SC2=NN=CN2C)N

DOS

IR

Vibrations