Geometry & MOs

Info

ID:

181431

PubChem CID:

76747307

Reduced:

ClFON8C24H28 (1)

Stoich.:

ABCD8E24F28 (1)

Weight, g/mol:

531.228014

ΔHf, kcal/mol:

7.95

Dipole, Da:

3.54

IP(EA), eV:

 -8.62(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(azetidin-1-yl)-1-[4-[2-chloro-4-[[5-chloro-4-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]methyl]-5-methylphenyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2CCN(CC2)C(=O)C3CCN3)F)NC4=NC=C(C(=N4)NC5=NNC(=C5)C)Cl

DOS

IR

Vibrations