Geometry & MOs

Info

ID:	244902
PubChem CID:	99431559
Reduced:	O2F3N6C19H21 (1)
Stoich.:	A2B3C6D19E21 (1)
Weight, g/mol:	380.134777
ΔH_f, kcal/mol:	-162.35
Dipole, Da:	6.94
IP(EA), eV:	-9.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)N)C)CC(=O)NCC[C@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations