Geometry & MOs

Info

ID:	342172
PubChem CID:	127264885
Reduced:	N2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	286.129298
ΔH_f, kcal/mol:	-23.88
Dipole, Da:	6.39
IP(EA), eV:	-8.78(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CN1C=CC(=C1)C=CC(=O)N2CC(C3C2CCOC3)C4=CC=CC=C4

DOS

IR

Vibrations