Geometry & MOs

Info

ID:	343210
PubChem CID:	127266383
Reduced:	F3N4O4C13H13 (1)
Stoich.:	A3B4C4D13E13 (1)
Weight, g/mol:	342.113961
ΔH_f, kcal/mol:	-182.26
Dipole, Da:	8.46
IP(EA), eV:	-10.01(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(4,5-difluoro-2-methoxyphenyl)pyrrolidine-1,3,4-tricarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NCC2CC(=NO2)C(F)(F)F

DOS

IR

Vibrations