Geometry & MOs

Info

ID:	314285
PubChem CID:	126621150
Reduced:	N3O4F6H19C22 (1)
Stoich.:	A3B4C6D19E22 (1)
Weight, g/mol:	166.146999
ΔH_f, kcal/mol:	-407.91
Dipole, Da:	5.51
IP(EA), eV:	-8.83(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-di(propan-2-yl)-1,2-dihydropyridazine

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=C(C=C1)OC[C@@H]2CN([C@H](O2)C(F)(F)F)C3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations