Geometry & MOs

Info

ID:	23753
PubChem CID:	605910
Reduced:	N2F3O5C12H13 (1)
Stoich.:	A2B3C5D12E13 (1)
Weight, g/mol:	322.077656
ΔH_f, kcal/mol:	-262.6
Dipole, Da:	7.32
IP(EA), eV:	-9.2(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CCNC(=O)C(F)(F)F)[N+](=O)[O-])OC

DOS

IR

Vibrations