Geometry & MOs

Info

ID:	336948
PubChem CID:	127255955
Reduced:	ClNBr2O2H4C7 (1)
Stoich.:	ABC2D2E4F7 (1)
Weight, g/mol:	228.027725
ΔH_f, kcal/mol:	-51.38
Dipole, Da:	3.43
IP(EA), eV:	-10.16(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(trifluoromethoxy)pyridin-2-yl]methanamine;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(N=C1Br)Cl)Br

DOS

IR

Vibrations