Geometry & MOs

Info

ID:	303173
PubChem CID:	124489313
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	262.148141
ΔH_f, kcal/mol:	-39.39
Dipole, Da:	4.23
IP(EA), eV:	-9.3(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-fluorophenyl)-1-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)C(=O)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations