Geometry & MOs

Info

ID:	250058
PubChem CID:	103093865
Reduced:	OCl2N3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	237.041738
ΔH_f, kcal/mol:	0.11
Dipole, Da:	1.47
IP(EA), eV:	-8.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)N)C(=O)NC2=C(C=CC=N2)Cl

DOS

IR

Vibrations