Geometry & MOs

Info

ID:

187510

PubChem CID:

77582775

Reduced:

F3N5C22H24 (1)

Stoich.:

A3B5C22D24 (1)

Weight, g/mol:

579.221715

ΔHf, kcal/mol:

-68.38

Dipole, Da:

9.38

IP(EA), eV:

 -9.16(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[3-[3-[2-(dimethylamino)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-5-methyl-4-methylidenepyridazin-2-ium-3-one;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1CN(CCC1CC2CNNC2C3=CC=C(C=C3)C#N)C4=NC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations