Geometry & MOs

Info

ID:	240424
PubChem CID:	93578314
Reduced:	NO3C24H33 (1)
Stoich.:	AB3C24D33 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	-112.88
Dipole, Da:	4.44
IP(EA), eV:	-8.72(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C[C@@H]2CCCO2)C[C@@H](COC3=CC=CC(=C3)C)O

DOS

IR

Vibrations