Geometry & MOs

Info

ID:

447875

PubChem CID:

135286486

Reduced:

FON7H26C33 (1)

Stoich.:

ABC7D26E33 (1)

Weight, g/mol:

523.158659

ΔHf, kcal/mol:

148.74

Dipole, Da:

9.64

IP(EA), eV:

 -8.59(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-[5-[3-chloro-7-fluoro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CC(=C6)CNCC7=CC=CC=C7)/C=C32)F

DOS

IR

Vibrations