Geometry & MOs

Info

ID:	242230
PubChem CID:	96079700
Reduced:	FON4H11C13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	258.091689
ΔH_f, kcal/mol:	21.03
Dipole, Da:	4.89
IP(EA), eV:	-9.7(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(2-fluorophenyl)-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC=NN2C1=NN=C2[C@@H](C3=CC=CC=C3F)O

DOS

IR

Vibrations