Geometry & MOs

Info

ID:	5269
PubChem CID:	12872
Reduced:	NOC2H2 (4)
Stoich.:	ABC2D2 (4)
Weight, g/mol:	224.054555
ΔH_f, kcal/mol:	-4.18
Dipole, Da:	4.25
IP(EA), eV:	-9.45(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]urea

Drug info:

PubChemData

Smile

C1=C(OC(=C1)[N+](=O)[O-])C=CC=NNC(=O)N

DOS

IR

Vibrations