Geometry & MOs

Info

ID:	199486
PubChem CID:	79254090
Reduced:	NO2C16H31 (1)
Stoich.:	AB2C16D31 (1)
Weight, g/mol:	253.165349
ΔH_f, kcal/mol:	-128.04
Dipole, Da:	1.74
IP(EA), eV:	-8.78(2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CCOC1CC(C12CCCCC2)N[C@H](CO)C(C)C

DOS

IR

Vibrations