Geometry & MOs

Info

ID:	277418
PubChem CID:	103828402
Reduced:	F2N3O3H11C13 (1)
Stoich.:	A2B3C3D11E13 (1)
Weight, g/mol:	285.092498
ΔH_f, kcal/mol:	-79.42
Dipole, Da:	8.44
IP(EA), eV:	-9.14(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-difluoro-4-nitroanilino)-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CNC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations