Geometry & MOs

Info

ID:	28510
PubChem CID:	828025
Reduced:	ON2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	299.090606
ΔH_f, kcal/mol:	2.02
Dipole, Da:	5.12
IP(EA), eV:	-8.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[5-(dihydroxyamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methylimino]cyclohexa-2,5-dien-1-ylidene]acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C3CCCC3=N2)NC(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations