Geometry & MOs

Info

ID:	240534
PubChem CID:	93581329
Reduced:	FNO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	387.204573
ΔH_f, kcal/mol:	-179.64
Dipole, Da:	6.87
IP(EA), eV:	-9.17(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-2-hydroxy-3-[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@H](CN(C[C@@H]2CCCO2)CC3=CC=C(C=C3)F)O

DOS

IR

Vibrations