Geometry & MOs

Info

ID:	263269
PubChem CID:	103350841
Reduced:	BrSN2O4C11H15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	340.00342
ΔH_f, kcal/mol:	-75.46
Dipole, Da:	2.81
IP(EA), eV:	-9.84(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-nitrophenyl)methyl]-4,4,4-trifluorobutan-1-amine

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C)NCC1=CC(=CC(=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations