Geometry & MOs

Info

ID:	140835
PubChem CID:	52767971
Reduced:	O2F3N4H19C20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	404.14601
ΔH_f, kcal/mol:	-164.72
Dipole, Da:	8.91
IP(EA), eV:	-8.35(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1CNC(=O)C2=NNC3=CC=CC=C32)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations