Geometry & MOs

Info

ID:	275685
PubChem CID:	103817073
Reduced:	ClO2N4H9C12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	265.073038
ΔH_f, kcal/mol:	-13.89
Dipole, Da:	5.49
IP(EA), eV:	-9.4(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CN=C(C=N2)Cl)C(=O)N

DOS

IR

Vibrations