Geometry & MOs

Info

ID:	344205
PubChem CID:	127267381
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	244.082347
ΔH_f, kcal/mol:	71.36
Dipole, Da:	5.45
IP(EA), eV:	-9.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-3-yl-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)N3CCN4C(=CC=N4)C3

DOS

IR

Vibrations