Geometry & MOs

Info

ID:	378568
PubChem CID:	134224659
Reduced:	BrClN3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	205.150036
ΔH_f, kcal/mol:	56.54
Dipole, Da:	2.17
IP(EA), eV:	-8.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-propan-2-yloxysulfanylpropyl)butan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N=C(C(=N2)Br)N)Cl

DOS

IR

Vibrations