Geometry & MOs

Info

ID:

443960

PubChem CID:

135260812

Reduced:

O2N5C23H25 (1)

Stoich.:

A2B5C23D25 (1)

Weight, g/mol:

434.186652

ΔHf, kcal/mol:

0.92

Dipole, Da:

1.67

IP(EA), eV:

 -9.17(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[(2S)-2-amino-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxopropyl]-2-fluorophenoxy]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@H](CC2=CC=C(C=C2)OC3=C4C(=CNC4=NC=C3)C#N)N

DOS

IR

Vibrations