Geometry & MOs

Info

ID:	161872
PubChem CID:	57392904
Reduced:	N3O4H15C16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	209.080041
ΔH_f, kcal/mol:	-51.43
Dipole, Da:	4.58
IP(EA), eV:	-8.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C\1[C@H](N(N/C1=C\2/C=CC=CC2=O)C(=O)NO)C3=CC=C(C=C3)O

DOS

IR

Vibrations