Geometry & MOs

Info

ID:	253884
PubChem CID:	103121315
Reduced:	OSN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	288.077789
ΔH_f, kcal/mol:	79.84
Dipole, Da:	5.2
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NCC2=C(C=CS2)C#CCN

DOS

IR

Vibrations