Geometry & MOs

Info

ID:	292676
PubChem CID:	117356888
Reduced:	BrNC11H16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	241.04661
ΔH_f, kcal/mol:	-0.4
Dipole, Da:	1.79
IP(EA), eV:	-9.35(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4,5-dimethylphenyl)propan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CCCCN)Br

DOS

IR

Vibrations