Geometry & MOs

Info

ID:	281994
PubChem CID:	103914644
Reduced:	BrN2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	333.03981
ΔH_f, kcal/mol:	-5.84
Dipole, Da:	1.27
IP(EA), eV:	-8.59(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2-bromophenyl)ethyl]-1-ethylsulfonylpropan-2-amine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Br)NC2CCN(CC2)CC(C)C

DOS

IR

Vibrations