Geometry & MOs

Info

ID:	21238
PubChem CID:	587760
Reduced:	N3O3F4H13C16 (1)
Stoich.:	A3B3C4D13E16 (1)
Weight, g/mol:	371.089304
ΔH_f, kcal/mol:	-209.76
Dipole, Da:	4.93
IP(EA), eV:	-9.7(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)F

DOS

IR

Vibrations