Geometry & MOs

Info

ID:	240425
PubChem CID:	93578316
Reduced:	NO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	-97.88
Dipole, Da:	2.28
IP(EA), eV:	-8.84(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[benzyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(3-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@@H](CN(C[C@@H]2CCCO2)CC3=CC=CC=C3)O

DOS

IR

Vibrations