Geometry & MOs

Info

ID:	24247
PubChem CID:	608734
Reduced:	ClON5H8C9 (1)
Stoich.:	ABC5D8E9 (1)
Weight, g/mol:	237.041738
ΔH_f, kcal/mol:	49.2
Dipole, Da:	5.59
IP(EA), eV:	-9.46(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(=O)NC2=NC=CC=N2)Cl

DOS

IR

Vibrations