Geometry & MOs

Info

ID:	255169
PubChem CID:	103130501
Reduced:	SN2O3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	202.085461
ΔH_f, kcal/mol:	-82.78
Dipole, Da:	7.71
IP(EA), eV:	-10.25(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(5-methylpyrimidin-2-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2CCS(=O)(=O)C2

DOS

IR

Vibrations