Geometry & MOs

Info

ID:	165693
PubChem CID:	74584546
Reduced:	SN4O5H20C21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	274.095357
ΔH_f, kcal/mol:	-69.51
Dipole, Da:	9.1
IP(EA), eV:	-9.29(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,5-dimethylpyrazol-4-yl)-1-hydroxyprop-2-enylidene]-6-methylpyran-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C3C(C(CC(N3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O)C(=O)NC2=S

DOS

IR

Vibrations