Geometry & MOs

Info

ID:	34137
PubChem CID:	7890010
Reduced:	N2F3O4H13C16 (1)
Stoich.:	A2B3C4D13E16 (1)
Weight, g/mol:	372.148535
ΔH_f, kcal/mol:	-209.0
Dipole, Da:	5.24
IP(EA), eV:	-9.81(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-fluorobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations