Geometry & MOs

Info

ID:	126793
PubChem CID:	50979249
Reduced:	OSN4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	356.140389
ΔH_f, kcal/mol:	14.93
Dipole, Da:	3.37
IP(EA), eV:	-9.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(6-chloropyridin-3-yl)methyl-methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CCCN(CC1=CN=CC=C1)C(=O)[C@H](CC2=CSC=N2)N

DOS

IR

Vibrations