Geometry & MOs

Info

ID:	303169
PubChem CID:	124489308
Reduced:	ClFON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	4.85
IP(EA), eV:	-9.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylphenyl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)C(=O)C2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations