Geometry & MOs

Info

ID:	253108
PubChem CID:	103116080
Reduced:	ClON5H10C13 (1)
Stoich.:	ABC5D10E13 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	51.32
Dipole, Da:	0.83
IP(EA), eV:	-8.53(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-5-propylsulfanylphenyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)NC(=O)C2=C3C=NC=CN3N=C2)Cl

DOS

IR

Vibrations