Geometry & MOs

Info

ID:	253590
PubChem CID:	103119427
Reduced:	N3O3H11C12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	270.100442
ΔH_f, kcal/mol:	-43.89
Dipole, Da:	3.52
IP(EA), eV:	-9.94(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-1-(1-methylpyrazol-3-yl)butane-1,3-dione

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)C)C(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations