Geometry & MOs

Info

ID:	449466
PubChem CID:	135298843
Reduced:	NOC8H9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	356.100836
ΔH_f, kcal/mol:	17.29
Dipole, Da:	2.06
IP(EA), eV:	-9.97(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[[3,5-bis(hydroxymethyl)-4-oxocyclohexa-2,5-dien-1-ylidene]methyl]hydrazinyl]methylidene]-2-oxocyclohexa-3,6-diene-1,3-dicarbaldehyde

Drug info:

PubChemData

Smile

COC1CC2=C1C=NC=C2

DOS

IR

Vibrations