Geometry & MOs

Info

ID:	303175
PubChem CID:	124489319
Reduced:	OF2N2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	278.118591
ΔH_f, kcal/mol:	-113.77
Dipole, Da:	3.88
IP(EA), eV:	-9.28(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations