Geometry & MOs

Info

ID:

327071

PubChem CID:

126688958

Reduced:

O2C4H5 (6)

Stoich.:

A2B4C5 (6)

Weight, g/mol:

436.163436

ΔHf, kcal/mol:

-509.21

Dipole, Da:

4.4

IP(EA), eV:

 -9.03(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OCC1=CC=CC=C1)OC(=O)C

DOS

IR

Vibrations