Geometry & MOs

Info

ID:	538
PubChem CID:	2951
Reduced:	N4O5H9C14 (1)
Stoich.:	A4B5C9D14 (1)
Weight, g/mol:	313.057294
ΔH_f, kcal/mol:	17.12
Dipole, Da:	6.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.281955
Charge, e:	-1

Chem-info

IUPAC name:

3-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate

Drug info:

PubChemData

Smile

C1C(=NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-]

DOS

IR

Vibrations