Geometry & MOs

Info

ID:

319166

PubChem CID:

126655240

Reduced:

OF4N5H17C21 (1)

Stoich.:

AB4C5D17E21 (1)

Weight, g/mol:

475.269573

ΔHf, kcal/mol:

-148.27

Dipole, Da:

6.79

IP(EA), eV:

 -8.57(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R)-2-[4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-1,2,4-triazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]cycloheptane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1(F)F)C2=CN(C=N2)C3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)F

DOS

IR

Vibrations