Geometry & MOs

Info

ID:

449621

PubChem CID:

135300123

Reduced:

FO2N7H22C31 (1)

Stoich.:

AB2C7D22E31 (1)

Weight, g/mol:

575.257565

ΔHf, kcal/mol:

97.27

Dipole, Da:

6.86

IP(EA), eV:

 -8.76(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[5-[3-chloro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]piperazin-1-yl]butyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=CN=CC6=N5)C7=CC(=CC(=C7)F)O)N=C3)O

DOS

IR

Vibrations