Geometry & MOs

Info

ID:	69597
PubChem CID:	47205003
Reduced:	ClON4C9H9 (1)
Stoich.:	ABC4D9E9 (1)
Weight, g/mol:	218.091609
ΔH_f, kcal/mol:	14.09
Dipole, Da:	2.81
IP(EA), eV:	-9.49(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(1H-pyrazol-5-ylmethyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=C(NN=C1)CNC(=O)C2=CC(=CN2)Cl

DOS

IR

Vibrations