Geometry & MOs

Info

ID:	342295
PubChem CID:	127265072
Reduced:	ClOSN4H11C16 (1)
Stoich.:	ABCD4E11F16 (1)
Weight, g/mol:	320.152478
ΔH_f, kcal/mol:	101.47
Dipole, Da:	3.7
IP(EA), eV:	-8.92(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenacylpyrrolidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C=C(C3=NC4=CC=CC=C4O3)Cl

DOS

IR

Vibrations