Geometry & MOs

Info

ID:	303890
PubChem CID:	124490700
Reduced:	ON2C8H8 (1)
Stoich.:	AB2C8D8 (1)
Weight, g/mol:	171.087098
ΔH_f, kcal/mol:	-8.4
Dipole, Da:	2.8
IP(EA), eV:	-10.12(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-amino-3-(trifluoromethyl)pentan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(C=CC=N2)C(=O)N1

DOS

IR

Vibrations