Geometry & MOs

Info

ID:

432777

PubChem CID:

135172914

Reduced:

ON6C18H19 (1)

Stoich.:

AB6C18D19 (1)

Weight, g/mol:

339.169525

ΔHf, kcal/mol:

122.56

Dipole, Da:

4.99

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.648763

Charge, e:

0

Chem-info

IUPAC name:

(7Z)-7-[1-[N-methyl-2-(methylamino)anilino]ethenylhydrazinylidene]-3,4-dihydro-2H-1,4-benzoxazin-6-one

Drug info:

PubChemData

Smile

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations