Geometry & MOs

Info

ID:	363002
PubChem CID:	127310023
Reduced:	F3N3O3C12H16 (1)
Stoich.:	A3B3C3D12E16 (1)
Weight, g/mol:	387.18821
ΔH_f, kcal/mol:	-299.48
Dipole, Da:	6.85
IP(EA), eV:	-9.85(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylimidazol-2-yl)methyl]-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)NCC1C(=O)NC2CCN(C2=O)CC(F)(F)F

DOS

IR

Vibrations