Geometry & MOs

Info

ID:

327056

PubChem CID:

126688934

Reduced:

N2O7C24H24 (1)

Stoich.:

A2B7C24D24 (1)

Weight, g/mol:

420.168522

ΔHf, kcal/mol:

-123.72

Dipole, Da:

3.19

IP(EA), eV:

 -8.76(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-6-[[benzyl(hydroxy)amino]methylidene]-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one;N-methylidenehydroxylamine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C2=C/C(=C/N(CC3=C(C=C(C=C3)O)O)O)/C(=O)C=C2)O.C=NO

DOS

IR

Vibrations