Geometry & MOs

Info

ID:	145996
PubChem CID:	53621779
Reduced:	BrN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	340.084141
ΔH_f, kcal/mol:	-25.79
Dipole, Da:	0.88
IP(EA), eV:	-9.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-(4-methylsulfonylphenoxy)ethyl]-5-nitroimidazol-4-amine

Drug info:

PubChemData

Smile

CC(C)CCC1=NOC(=N1)C2(CCOCC2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations