Geometry & MOs

Info

ID:	280912
PubChem CID:	103851894
Reduced:	SN3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	307.155927
ΔH_f, kcal/mol:	9.64
Dipole, Da:	3.95
IP(EA), eV:	-8.42(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]hexan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=C(N(N=C1)C)C)SC

DOS

IR

Vibrations