Geometry & MOs

Info

ID:

308910

PubChem CID:

126531837

Reduced:

FN10C30H31 (1)

Stoich.:

AB10C30D31 (1)

Weight, g/mol:

600.216428

ΔHf, kcal/mol:

164.78

Dipole, Da:

6.13

IP(EA), eV:

 -8.34(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-[3-chloro-4-[[(1R)-1-[2-fluoro-5-(1H-pyrazol-4-yl)phenyl]ethyl]amino]-2-methylquinolin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC(=CC(=C6)F)NCCN(C)C

DOS

IR

Vibrations