Geometry & MOs

Info

ID:	279963
PubChem CID:	103845969
Reduced:	BrNC11H16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	338.91196
ΔH_f, kcal/mol:	-1.99
Dipole, Da:	2.72
IP(EA), eV:	-9.43(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-iodophenyl)propan-1-amine

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC(=C1Br)C)N

DOS

IR

Vibrations