Geometry & MOs

Info

ID:	139093
PubChem CID:	52470891
Reduced:	O2N4C23H29 (1)
Stoich.:	A2B4C23D29 (1)
Weight, g/mol:	386.117745
ΔH_f, kcal/mol:	12.04
Dipole, Da:	5.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752179
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)NC3=CC=CC=C3N4CC[NH+](CC4)C

DOS

IR

Vibrations