Geometry & MOs

Info

ID:	297630
PubChem CID:	117624257
Reduced:	S2F3N3C31H34 (1)
Stoich.:	A2B3C3D31E34 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-96.44
Dipole, Da:	4.92
IP(EA), eV:	-8.38(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-5-oxo-N-[1-phenyl-5-(3-propoxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCC1=CC2=CC3=C(C=C2S1)C(=C(S3)C4=CC(=NC=C4)C5=NNC(=C5)C(F)(F)F)CCCCCC

DOS

IR

Vibrations