Geometry & MOs

Info

ID:	148040
PubChem CID:	53787702
Reduced:	NO4C9H18 (1)
Stoich.:	AB4C9D18 (1)
Weight, g/mol:	251.05422
ΔH_f, kcal/mol:	-182.81
Dipole, Da:	3.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757258
Charge, e:	0

Chem-info

IUPAC name:

4,5-dihydroxy-3-[(3-nitrophenyl)methyl]-1H-imidazol-2-one

Drug info:

PubChemData

Smile

[3H][O+]=C(C)N(CCCC)[C@@H](CO)C(=O)O

DOS

IR

Vibrations