Geometry & MOs

Info

ID:

327073

PubChem CID:

126688960

Reduced:

NO5H21C23 (1)

Stoich.:

AB5C21D23 (1)

Weight, g/mol:

436.163436

ΔHf, kcal/mol:

-64.95

Dipole, Da:

4.88

IP(EA), eV:

 -8.51(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-6-[[hydroxy-[hydroxy(phenyl)methyl]amino]methylidene]-4-[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=CC=CC=C3O)O)/C(=O)C=C2)O

DOS

IR

Vibrations