Geometry & MOs

Info

ID:	149028
PubChem CID:	53788699
Reduced:	F2S2N5O5C20H20 (1)
Stoich.:	A2B2C5D5E20F20 (1)
Weight, g/mol:	152.094963
ΔH_f, kcal/mol:	-167.02
Dipole, Da:	3.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766311
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methylpropan-2-yl)oxy]pyridazine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC(=[N+](OC)S(=O)(=O)C2=CC=CC=C2F)NS(=O)(=O)C3=CC=CC=C3F)C

DOS

IR

Vibrations