Geometry & MOs

Info

ID:	341225
PubChem CID:	127263660
Reduced:	ClFNO2H5C7 (1)
Stoich.:	ABCD2E5F7 (1)
Weight, g/mol:	241.048126
ΔH_f, kcal/mol:	-86.61
Dipole, Da:	5.46
IP(EA), eV:	-10.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1C=O)F)Cl

DOS

IR

Vibrations