Geometry & MOs

Info

ID:

324021

PubChem CID:

126676775

Reduced:

BrClFPN3O9C20H23 (1)

Stoich.:

ABCDE3F9G20H23 (1)

Weight, g/mol:

360.181093

ΔHf, kcal/mol:

-469.52

Dipole, Da:

4.21

IP(EA), eV:

 -9.88(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[1-[[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(Cl)Br)O)OC3=CC(=CC=C3)F

DOS

IR

Vibrations