Geometry & MOs

Info

ID:	240460
PubChem CID:	93580337
Reduced:	BrNSO5C20H26 (1)
Stoich.:	ABCD5E20F26 (1)
Weight, g/mol:	369.230394
ΔH_f, kcal/mol:	-173.86
Dipole, Da:	5.52
IP(EA), eV:	-8.87(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[benzyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(3,5-dimethylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC[C@H](CN(CC2=CC=C(O2)Br)[C@@H]3CCS(=O)(=O)C3)O)C

DOS

IR

Vibrations