Geometry & MOs

Info

ID:	18396
PubChem CID:	540209
Reduced:	N2F3O7H13C14 (1)
Stoich.:	A2B3C7D13E14 (1)
Weight, g/mol:	378.067485
ΔH_f, kcal/mol:	-351.48
Dipole, Da:	12.15
IP(EA), eV:	-10.05(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyloxy-4-nitro-5-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C(=C1)CCNC(=O)C(F)(F)F)[N+](=O)[O-])OC(=O)C

DOS

IR

Vibrations