Geometry & MOs

Info

ID:	245797
PubChem CID:	103023984
Reduced:	ON4C11H12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	56.08
Dipole, Da:	3.85
IP(EA), eV:	-9.48(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-1-(1-phenylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2=CN=NC=C2

DOS

IR

Vibrations