Geometry & MOs

Info

ID:

327076

PubChem CID:

126688963

Reduced:

NO3C12H13 (2)

Stoich.:

AB3C12D13 (2)

Weight, g/mol:

393.157623

ΔHf, kcal/mol:

-85.21

Dipole, Da:

7.93

IP(EA), eV:

 -8.3(-0.52)

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations