Geometry & MOs

Info

ID:	240502
PubChem CID:	93581070
Reduced:	NO5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	401.200237
ΔH_f, kcal/mol:	-170.57
Dipole, Da:	4.08
IP(EA), eV:	-8.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations