Geometry & MOs

Info

ID:

59458

PubChem CID:

24874954

Reduced:

ON5C20H21 (1)

Stoich.:

AB5C20D21 (1)

Weight, g/mol:

557.249901

ΔHf, kcal/mol:

74.4

Dipole, Da:

12.4

IP(EA), eV:

 -8.66(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R)-4-[3-(3,3-dimethyl-2-oxoazetidin-1-yl)pyridin-2-yl]-2-methylpiperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC=CC(=C1)C2=CC3=NC(=O)C4=CC=CC=C4N3N2

DOS

IR

Vibrations