Geometry & MOs

Info

ID:	253540
PubChem CID:	103119098
Reduced:	O3N6C11H16 (1)
Stoich.:	A3B6C11D16 (1)
Weight, g/mol:	228.089878
ΔH_f, kcal/mol:	-18.6
Dipole, Da:	6.39
IP(EA), eV:	-10.32(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-3-phenylpropane-1,3-dione

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations