Geometry & MOs

Info

ID:	267248
PubChem CID:	103581526
Reduced:	BrClSN2O2C11H16 (1)
Stoich.:	ABCD2E2F11G16 (1)
Weight, g/mol:	353.0182
ΔH_f, kcal/mol:	-69.03
Dipole, Da:	4.06
IP(EA), eV:	-9.51(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCCNCC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations