Geometry & MOs

Info

ID:	54965
PubChem CID:	17389599
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	261.134049
ΔH_f, kcal/mol:	-77.88
Dipole, Da:	7.28
IP(EA), eV:	-9.36(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-[3-(trifluoromethyl)phenyl]hexan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCCCCN)(C(=O)O)N

DOS

IR

Vibrations