Geometry & MOs

Info

ID:	277431
PubChem CID:	103828475
Reduced:	F2O2N3C14H19 (1)
Stoich.:	A2B2C3D14E19 (1)
Weight, g/mol:	286.076513
ΔH_f, kcal/mol:	-86.12
Dipole, Da:	8.76
IP(EA), eV:	-9.11(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2,6-difluoro-4-nitrophenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(CNC1=C(C=C(C=C1F)[N+](=O)[O-])F)CN2CCCC2

DOS

IR

Vibrations