Geometry & MOs

Info

ID:	267310
PubChem CID:	103581721
Reduced:	BrClNOC13H19 (1)
Stoich.:	ABCDE13F19 (1)
Weight, g/mol:	322.97463
ΔH_f, kcal/mol:	-53.47
Dipole, Da:	4.6
IP(EA), eV:	-9.22(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-3-methylsulfinylpropan-1-amine

Drug info:

PubChemData

Smile

CCCC(C)(CNCC1=CC(=C(C=C1)Br)Cl)O

DOS

IR

Vibrations