Geometry & MOs

Info

ID:	341286
PubChem CID:	127263833
Reduced:	FNO3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	227.04371
ΔH_f, kcal/mol:	-102.12
Dipole, Da:	2.66
IP(EA), eV:	-9.87(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC=C1F)C2=NC=CO2

DOS

IR

Vibrations