Geometry & MOs

Info

ID:	268311
PubChem CID:	103598890
Reduced:	OSF3N3H14C16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-123.14
Dipole, Da:	5.38
IP(EA), eV:	-9.57(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-oxo-3-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)prop-1-enyl]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CC2=C1NN=C2)C(=O)C=CC3=CC=C(C=C3)SC(F)(F)F

DOS

IR

Vibrations