Geometry & MOs

Info

ID:	290795
PubChem CID:	111123304
Reduced:	FNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-176.04
Dipole, Da:	1.51
IP(EA), eV:	-9.01(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(phenoxymethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol

Drug info:

PubChemData

Smile

CC(C)N(CCC(=O)OC)CC(C1=CC=CC=C1F)O

DOS

IR

Vibrations