Geometry & MOs

Info

ID:	202565
PubChem CID:	79687998
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	234.116841
ΔH_f, kcal/mol:	-66.93
Dipole, Da:	2.21
IP(EA), eV:	-9.36(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-[(3R)-pyrrolidin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CNC[C@@H]1NC(=O)CCC2=CC=CO2

DOS

IR

Vibrations