Geometry & MOs

Info

ID:

433636

PubChem CID:

135173776

Reduced:

N7C38H39 (1)

Stoich.:

A7B38C39 (1)

Weight, g/mol:

621.181064

ΔHf, kcal/mol:

183.22

Dipole, Da:

7.56

IP(EA), eV:

 -8.22(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methanol

Drug info:

PubChemData

Smile

C/C=C(/C=C)\C=C\1/C(=C)C(=NC=N1)NC2=CC=CC(=C2C)C3=C(C(=CC=C3)NC4=NC=CC5=CC(=CN=C54)CN6CCCC6)C

DOS

IR

Vibrations