Geometry & MOs

Info

ID:	240902
PubChem CID:	93618112
Reduced:	SN2O2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	329.080968
ΔH_f, kcal/mol:	-35.0
Dipole, Da:	5.21
IP(EA), eV:	-9.11(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C=CC(=CC1=O)C(=O)N2CCC[C@H]2C3=CSC=C3

DOS

IR

Vibrations