Geometry & MOs

Info

ID:	267329
PubChem CID:	103581844
Reduced:	BrClNOC13H19 (1)
Stoich.:	ABCDE13F19 (1)
Weight, g/mol:	305.0182
ΔH_f, kcal/mol:	-47.49
Dipole, Da:	3.2
IP(EA), eV:	-9.42(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-3-chlorophenyl)methylamino]pentan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCCCCCCO)Cl)Br

DOS

IR

Vibrations