Geometry & MOs

Info

ID:	244932
PubChem CID:	99431618
Reduced:	N2O2F3H19C21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	388.139862
ΔH_f, kcal/mol:	-185.65
Dipole, Da:	4.51
IP(EA), eV:	-9.47(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations