Geometry & MOs

Info

ID:	237742
PubChem CID:	92721193
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	383.127918
ΔH_f, kcal/mol:	2.67
Dipole, Da:	2.8
IP(EA), eV:	-9.09(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)N2CCC[C@@H]2C3=CC=CS3

DOS

IR

Vibrations