Geometry & MOs

Info

ID:	342415
PubChem CID:	127265238
Reduced:	SO2N5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	263.132157
ΔH_f, kcal/mol:	55.59
Dipole, Da:	2.94
IP(EA), eV:	-9.59(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN=C(S1)C=CC2=CC(=C(C=C2)N3C=NC=N3)C

DOS

IR

Vibrations