Geometry & MOs

Info

ID:

308904

PubChem CID:

126531824

Reduced:

ClFON5H25C29 (1)

Stoich.:

ABCD5E25F29 (1)

Weight, g/mol:

530.199715

ΔHf, kcal/mol:

26.67

Dipole, Da:

3.34

IP(EA), eV:

 -9.09(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[3-chloro-4-[[(1R)-1-[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]-2-methylquinolin-6-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)C2=CN=CC=C2)F)NC3=C4C=C(C=CC4=NC=C3Cl)C5=CN=C(N=C5)C(C)(C)O

DOS

IR

Vibrations