Geometry & MOs

Info

ID:

128355

PubChem CID:

51040996

Reduced:

N5O7H29C33 (1)

Stoich.:

A5B7C29D33 (1)

Weight, g/mol:

595.257484

ΔHf, kcal/mol:

-152.09

Dipole, Da:

5.22

IP(EA), eV:

 -8.99(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-2-N-(2-methylphenyl)-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine

Drug info:

PubChemData

Smile

C[C@]1([C@H]([C@H](C(O1)(C)N2C=NC3=C(N=CN=C32)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6

DOS

IR

Vibrations