Geometry & MOs

Info

ID:

229532

PubChem CID:

87567952

Reduced:

O3N5H21C25 (1)

Stoich.:

A3B5C21D25 (1)

Weight, g/mol:

520.165758

ΔHf, kcal/mol:

84.75

Dipole, Da:

8.9

IP(EA), eV:

 -9.26(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC=CC1=C(C(=C(C(=C1)C)OC2=C(C(=C(C(=C2)N)N)C3=CC=C(C=C3)C#N)[N+](=O)[O-])C)C#N

DOS

IR

Vibrations