Geometry & MOs

Info

ID:	209497
PubChem CID:	80680174
Reduced:	BrNC16H22 (1)
Stoich.:	ABC16D22 (1)
Weight, g/mol:	400.9613
ΔH_f, kcal/mol:	-5.49
Dipole, Da:	3.43
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)CN3CCC(CC3)Br

DOS

IR

Vibrations