Geometry & MOs

Info

ID:	313380
PubChem CID:	126614184
Reduced:	N2F3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-273.58
Dipole, Da:	4.43
IP(EA), eV:	-9.58(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-methyl-4-phenylmethoxy-2-prop-1-en-2-ylpyrrolidine

Drug info:

PubChemData

Smile

COC[C@@H]1CCCN1C(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations