Geometry & MOs

Info

ID:	201742
PubChem CID:	79574054
Reduced:	BrNOSC10H16 (1)
Stoich.:	ABCDE10F16 (1)
Weight, g/mol:	345.0762
ΔH_f, kcal/mol:	-26.69
Dipole, Da:	1.42
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)sulfanyl-3-propoxy-N-propylpropan-2-amine

Drug info:

PubChemData

Smile

CCNC(COCC)C1=CC(=CS1)Br

DOS

IR

Vibrations