Geometry & MOs

Info

ID:	267238
PubChem CID:	103581480
Reduced:	BrClNOC15H15 (1)
Stoich.:	ABCDE15F15 (1)
Weight, g/mol:	326.98257
ΔH_f, kcal/mol:	-1.47
Dipole, Da:	3.54
IP(EA), eV:	-9.58(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-chlorophenyl)-N-[(2-fluorophenyl)methyl]methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations