Geometry & MOs

Info

ID:	240497
PubChem CID:	93581035
Reduced:	NO5C26H31 (1)
Stoich.:	AB5C26D31 (1)
Weight, g/mol:	401.200237
ΔH_f, kcal/mol:	-143.08
Dipole, Da:	4.56
IP(EA), eV:	-8.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2R)-3-[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)CN(CC2=CC=CO2)C[C@H](COC3=CC=C(C=C3)C(=O)C)O

DOS

IR

Vibrations