Geometry & MOs

Info

ID:	263268
PubChem CID:	103350839
Reduced:	BrN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	349.99359
ΔH_f, kcal/mol:	-84.5
Dipole, Da:	5.47
IP(EA), eV:	-9.74(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-nitrophenyl)methyl]-1-methylsulfonylpropan-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)CCCNCC1=CC(=CC(=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations