Geometry & MOs

Info

ID:	253636
PubChem CID:	103119694
Reduced:	SO2N6H10C11 (1)
Stoich.:	AB2C6D10E11 (1)
Weight, g/mol:	201.06689
ΔH_f, kcal/mol:	52.04
Dipole, Da:	2.54
IP(EA), eV:	-8.73(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloropropyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=NN=C(N3N)SCC(=O)O

DOS

IR

Vibrations