Geometry & MOs

Info

ID:	282946
PubChem CID:	103947646
Reduced:	N3O3C17H31 (1)
Stoich.:	A3B3C17D31 (1)
Weight, g/mol:	271.05718
ΔH_f, kcal/mol:	-181.25
Dipole, Da:	6.04
IP(EA), eV:	-9.16(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[1-(4-bromo-3-methylphenyl)ethylamino]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)NCC(=O)N2CCCCC2

DOS

IR

Vibrations