Geometry & MOs

Info

ID:	135810
PubChem CID:	51939491
Reduced:	BrNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	394.10178
ΔH_f, kcal/mol:	-81.5
Dipole, Da:	5.31
IP(EA), eV:	-8.93(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-[(1R)-1-(2-methoxyphenyl)ethyl]-methylazanium

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1OC)N(C)C[C@@H](COC2=CC=C(C=C2)Br)O

DOS

IR

Vibrations