Geometry & MOs

Info

ID:	157522
PubChem CID:	56435508
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	425.222703
ΔH_f, kcal/mol:	34.23
Dipole, Da:	8.07
IP(EA), eV:	-8.55(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=NN(C=C2)C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations