Geometry & MOs

Info

ID:	202698
PubChem CID:	79710676
Reduced:	BrFN2C16H26 (1)
Stoich.:	ABC2D16E26 (1)
Weight, g/mol:	358.91435
ΔH_f, kcal/mol:	-51.51
Dipole, Da:	4.74
IP(EA), eV:	-8.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]aniline

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NCC1=CC(=CC(=C1)Br)F

DOS

IR

Vibrations