Geometry & MOs

Info

ID:	240396
PubChem CID:	93578161
Reduced:	NSO3C21H29 (1)
Stoich.:	ABC3D21E29 (1)
Weight, g/mol:	373.205322
ΔH_f, kcal/mol:	-100.52
Dipole, Da:	3.34
IP(EA), eV:	-8.62(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(3-fluorophenyl)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=C(C=CS3)C)O

DOS

IR

Vibrations