Geometry & MOs

Info

ID:	271975
PubChem CID:	103707721
Reduced:	NSC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	336.99028
ΔH_f, kcal/mol:	-6.84
Dipole, Da:	1.46
IP(EA), eV:	-8.47(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromo-5-chlorophenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol

Drug info:

PubChemData

Smile

CSC1CCCC(C1)NCC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations