Geometry & MOs

Info

ID:	271842
PubChem CID:	103694293
Reduced:	BrNC10H14 (1)
Stoich.:	ABC10D14 (1)
Weight, g/mol:	227.03096
ΔH_f, kcal/mol:	4.55
Dipole, Da:	3.01
IP(EA), eV:	-9.3(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-bromo-4-methylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=C(C=C(C=C1)Br)C)N

DOS

IR

Vibrations