Geometry & MOs

Info

ID:

447108

PubChem CID:

135280344

Reduced:

ClON6H19C21 (1)

Stoich.:

ABC6D19E21 (1)

Weight, g/mol:

597.331505

ΔHf, kcal/mol:

91.58

Dipole, Da:

6.28

IP(EA), eV:

 -8.12(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-methyl-3-[(1-prop-2-enoylpyrrolidin-3-yl)amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NN=C2N)C3=CC4=C(C=C3Cl)N(C=N4)C5CN(C5)C(=O)C=C

DOS

IR

Vibrations