Geometry & MOs

Info

ID:	253534
PubChem CID:	103119065
Reduced:	O2N3H11C15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	229.085127
ΔH_f, kcal/mol:	29.09
Dipole, Da:	1.38
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropane-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(=O)CC(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations