Geometry & MOs

Info

ID:	172224
PubChem CID:	75481509
Reduced:	NO6C13H15 (1)
Stoich.:	AB6C13D15 (1)
Weight, g/mol:	233.079426
ΔH_f, kcal/mol:	-225.17
Dipole, Da:	4.3
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(C(=O)OC)C(=O)OC

DOS

IR

Vibrations