Geometry & MOs

Info

ID:	267328
PubChem CID:	103581843
Reduced:	BrClN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	319.03385
ΔH_f, kcal/mol:	50.85
Dipole, Da:	1.55
IP(EA), eV:	-8.3(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-bromo-3-chlorophenyl)methylamino]hexan-1-ol

Drug info:

PubChemData

Smile

CCC1=NN(C=C1NCC2=CC(=C(C=C2)Br)Cl)C

DOS

IR

Vibrations