Geometry & MOs

Info

ID:	344254
PubChem CID:	127267430
Reduced:	N2O2F3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-194.78
Dipole, Da:	5.96
IP(EA), eV:	-9.22(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5-cyclopropylpyridin-2-yl)oxypyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C=CC(=O)NC1CC2=CC=CC=C2N(C1)C(=O)C(F)(F)F

DOS

IR

Vibrations