Geometry & MOs

Info

ID:	240388
PubChem CID:	93578136
Reduced:	ClNO3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	359.209658
ΔH_f, kcal/mol:	-109.43
Dipole, Da:	4.72
IP(EA), eV:	-8.66(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-(4-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations