Geometry & MOs

Info

ID:	303723
PubChem CID:	124490100
Reduced:	FNO4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-169.43
Dipole, Da:	4.31
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[(3R)-1-ethylpyrrolidin-3-yl]-1-phenylpropyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CF)C(=O)O

DOS

IR

Vibrations