Geometry & MOs

Info

ID:

327075

PubChem CID:

126688962

Reduced:

NO5H21C23 (1)

Stoich.:

AB5C21D23 (1)

Weight, g/mol:

438.179087

ΔHf, kcal/mol:

-70.65

Dipole, Da:

0.61

IP(EA), eV:

 -8.49(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-6-[[hydroxy-[(1-hydroxycyclohexa-2,4-dien-1-yl)methyl]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=CC2=C/C(=C/N(C(C3=CC=CC=C3)O)O)/C(=O)C=C2)O

DOS

IR

Vibrations