Geometry & MOs

Info

ID:	186384
PubChem CID:	77425951
Reduced:	N3O3C28H31 (1)
Stoich.:	A3B3C28D31 (1)
Weight, g/mol:	267.096754
ΔH_f, kcal/mol:	-27.7
Dipole, Da:	6.98
IP(EA), eV:	-8.5(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-hydroxy-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-triazolidin-3-yl]urea

Drug info:

PubChemData

Smile

CCCC1C(C(=NNC1=O)C2=CC3=C(C=C2)N=C(O3)C4=CC=C(CC4)OCC5=CC=CCC5)C

DOS

IR

Vibrations