Geometry & MOs

Info

ID:	244885
PubChem CID:	99431539
Reduced:	O2F3N3H18C19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	365.160263
ΔH_f, kcal/mol:	-181.32
Dipole, Da:	6.07
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenyl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)NCC[C@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations