Geometry & MOs

Info

ID:	327074
PubChem CID:	126688961
Reduced:	NO3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	391.141973
ΔH_f, kcal/mol:	-70.88
Dipole, Da:	1.33
IP(EA), eV:	-8.68(-1.38)
Spin(S_z, 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

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.C=NO

DOS

IR

Vibrations