Geometry & MOs

Info

ID:	327072
PubChem CID:	126688959
Reduced:	NO3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	391.141973
ΔH_f, kcal/mol:	-65.9
Dipole, Da:	2.74
IP(EA), eV:	-8.48(-1.05)
Spin(S_z, 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

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.C=NO

DOS

IR

Vibrations