Geometry & MOs

Info

ID:

449637

PubChem CID:

135300205

Reduced:

ClFON6H28C29 (1)

Stoich.:

ABCD6E28F29 (1)

Weight, g/mol:

519.214951

ΔHf, kcal/mol:

43.19

Dipole, Da:

0.82

IP(EA), eV:

 -8.95(-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]-(1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)C2=CN=CN=C2)F)N/C(=C(/C)\Cl)/C3=C(C=CC(=C3)C4=CN=C(N=C4)C(C)(C)O)N=C

DOS

IR

Vibrations