Geometry & MOs

Info

ID:

433610

PubChem CID:

135173750

Reduced:

NI2O6C15H15 (1)

Stoich.:

AB2C6D15E15 (1)

Weight, g/mol:

635.348492

ΔHf, kcal/mol:

-182.39

Dipole, Da:

3.99

IP(EA), eV:

 -9.6(-3.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-7-(pyrrolidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@H]1CN([C@@]1(CC(=O)OI)C(=O)OI)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations