Geometry & MOs

Info

ID:

448955

PubChem CID:

135294723

Reduced:

BrO2N6C27H31 (1)

Stoich.:

AB2C6D27E31 (1)

Weight, g/mol:

572.13469

ΔHf, kcal/mol:

16.32

Dipole, Da:

5.2

IP(EA), eV:

 -8.31(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-bromo-3-[[4-(3,4-difluorophenoxy)anilino]-[[(1-methylpiperidin-4-yl)amino]methylamino]methylidene]-4-(methylideneamino)pyridin-2-one

Drug info:

PubChemData

Smile

CN/C=C(\C1=C(C(=NC(=N1)NC2CCN(CC2)C)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C=O)/Br

DOS

IR

Vibrations