Geometry & MOs

Info

ID:	200778
PubChem CID:	79443071
Reduced:	NBr2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	361.07111
ΔH_f, kcal/mol:	42.09
Dipole, Da:	3.89
IP(EA), eV:	-9.31(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(CC2=CC=C(C=C2)Br)CN

DOS

IR

Vibrations