Geometry & MOs

Info

ID:

321882

PubChem CID:

126667201

Reduced:

FO3N6H15C19 (1)

Stoich.:

AB3C6D15E19 (1)

Weight, g/mol:

513.204842

ΔHf, kcal/mol:

38.84

Dipole, Da:

5.1

IP(EA), eV:

 -8.63(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(difluoromethoxy)-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-5-nitrobenzene-1,4-diamine

Drug info:

PubChemData

Smile

CN1C=CC2=C1C(=CC=C2)C3=NC(=NC=N3)NC4=CC(=C(C=C4OC)F)[N+](=O)[O-]

DOS

IR

Vibrations