Geometry & MOs

Info

ID:

324006

PubChem CID:

126676751

Reduced:

BrClFPN3O9C21H25 (1)

Stoich.:

ABCDE3F9G21H25 (1)

Weight, g/mol:

419.218206

ΔHf, kcal/mol:

-480.72

Dipole, Da:

4.13

IP(EA), eV:

 -9.56(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]phenyl]methyl]-2-(dimethylamino)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations