Geometry & MOs

Info

ID:	264220
PubChem CID:	103443179
Reduced:	ClOSN2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	249.06689
ΔH_f, kcal/mol:	30.05
Dipole, Da:	5.92
IP(EA), eV:	-9.59(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropyridin-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(=O)CC2=CN=CS2)Cl

DOS

IR

Vibrations