Geometry & MOs

Info

ID:	250053
PubChem CID:	103093817
Reduced:	ClO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	279.088688
ΔH_f, kcal/mol:	-26.22
Dipole, Da:	4.43
IP(EA), eV:	-8.52(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=N2)Cl)N

DOS

IR

Vibrations