Geometry & MOs

Info

ID:	129964
PubChem CID:	51074406
Reduced:	F2O2N3C16H23 (1)
Stoich.:	A2B2C3D16E23 (1)
Weight, g/mol:	309.122575
ΔH_f, kcal/mol:	-189.74
Dipole, Da:	6.92
IP(EA), eV:	-9.65(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)NC(=O)N(C)CC(=O)NC(C)(C)C

DOS

IR

Vibrations