Geometry & MOs

Info

ID:	314879
PubChem CID:	126623879
Reduced:	ClFO2C21H24 (1)
Stoich.:	ABC2D21E24 (1)
Weight, g/mol:	294.137971
ΔH_f, kcal/mol:	-111.92
Dipole, Da:	4.91
IP(EA), eV:	-9.26(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

fluoro 2-(3-phenylpropylcarbamoyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1F)C(=O)Cl)C2CC2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations