Geometry & MOs

Info

ID:	253516
PubChem CID:	103118950
Reduced:	O4N5C12H13 (1)
Stoich.:	A4B5C12D13 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-12.88
Dipole, Da:	6.27
IP(EA), eV:	-10.48(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-3-(4-propoxyphenyl)propane-1,3-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=C(N=N2)C(=O)O)CCN)[N+](=O)[O-]

DOS

IR

Vibrations