Geometry & MOs

Info

ID:	184219
PubChem CID:	77128497
Reduced:	NF3O4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	277.009296
ΔH_f, kcal/mol:	-314.24
Dipole, Da:	5.48
IP(EA), eV:	-9.22(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CC(=O)O)C(C(F)(F)F)N)O

DOS

IR

Vibrations