Geometry & MOs

Info

ID:	271841
PubChem CID:	103694291
Reduced:	BrNC11H16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	227.03096
ΔH_f, kcal/mol:	-6.44
Dipole, Da:	2.84
IP(EA), eV:	-7.87(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-bromo-2-methylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations