Geometry & MOs

Info

ID:	267250
PubChem CID:	103581528
Reduced:	BrClON2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	326.98257
ΔH_f, kcal/mol:	2.63
Dipole, Da:	2.44
IP(EA), eV:	-9.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-1-(3-fluorophenyl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)N)CNCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations