Geometry & MOs

Info

ID:	245796
PubChem CID:	103023982
Reduced:	OSN3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	216.101111
ΔH_f, kcal/mol:	27.44
Dipole, Da:	2.26
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-1-pyridazin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations