Geometry & MOs

Info

ID:

449638

PubChem CID:

135300210

Reduced:

ClO2N7C27H30 (1)

Stoich.:

AB2C7D27E30 (1)

Weight, g/mol:

530.219702

ΔHf, kcal/mol:

10.43

Dipole, Da:

6.2

IP(EA), eV:

 -8.88(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(1R)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C[C@H](C1CCCN(C1)C(=O)C2=CNN=C2)NC3=C4C=C(C=CC4=NC=C3Cl)C5=CN=C(N=C5)C(C)(C)O

DOS

IR

Vibrations