Geometry & MOs

Info

ID:	240410
PubChem CID:	93578266
Reduced:	ClNO3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	373.205322
ΔH_f, kcal/mol:	-65.79
Dipole, Da:	1.99
IP(EA), eV:	-8.88(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@@H](CN(CC2=CC=CC=C2Cl)CC3=CC=CO3)O

DOS

IR

Vibrations