Geometry & MOs

Info

ID:	254535
PubChem CID:	103125966
Reduced:	N3C17H19 (1)
Stoich.:	A3B17C19 (1)
Weight, g/mol:	296.9749
ΔH_f, kcal/mol:	77.6
Dipole, Da:	3.36
IP(EA), eV:	-8.57(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-methyl-5-nitrophenyl)-1H-imidazol-2-one

Drug info:

PubChemData

Smile

CNC(CC1=CC=CC=C1)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations