Geometry & MOs

Info

ID:	1982
PubChem CID:	5492
Reduced:	NOF3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	232.094924
ΔH_f, kcal/mol:	-143.75
Dipole, Da:	16.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.901278
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[3-(2,2,2-trifluoroacetyl)phenyl]azanium

Drug info:

PubChemData

Smile

C[N+](C)(C)C1=CC=CC(=C1)C(=O)C(F)(F)F

DOS

IR

Vibrations