Geometry & MOs

Info

ID:	425067
PubChem CID:	135125027
Reduced:	NO6C33H35 (1)
Stoich.:	AB6C33D35 (1)
Weight, g/mol:	303.144613
ΔH_f, kcal/mol:	-159.98
Dipole, Da:	2.59
IP(EA), eV:	-8.79(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[(1S)-1-[4-(1-hydroxy-3-methylbutyl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC#C[C@@H](CC(=O)OC)C1=CC=C(C=C1)O[C@@H]2CCC3=C2C=CC(=C3C4=CN=C(C=C4)OC5CCOCC5)OC

DOS

IR

Vibrations