Geometry & MOs

Info

ID:

308905

PubChem CID:

126531825

Reduced:

ClFON6H28C29 (1)

Stoich.:

ABCD6E28F29 (1)

Weight, g/mol:

530.199715

ΔHf, kcal/mol:

26.41

Dipole, Da:

3.67

IP(EA), eV:

 -8.91(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C2C=C(C=CC2=N1)C3=CN=C(N=C3)C(C)(C)O)N[C@H](C)C4=C(C=CC(=C4)C5=CN(N=C5)C)F)Cl

DOS

IR

Vibrations