Geometry & MOs

Info

ID:	253545
PubChem CID:	103119136
Reduced:	O3N5C10H17 (1)
Stoich.:	A3B5C10D17 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-87.76
Dipole, Da:	6.28
IP(EA), eV:	-10.11(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-3-(2,4,6-trimethylphenyl)propane-1,3-dione

Drug info:

PubChemData

Smile

CCCNC(=O)CN1C(=C(N=N1)C(=O)O)CCN

DOS

IR

Vibrations