Geometry & MOs

Info

ID:	290491
PubChem CID:	104637698
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	294.020748
ΔH_f, kcal/mol:	28.62
Dipole, Da:	2.27
IP(EA), eV:	-9.16(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C2=NC(=NO2)C3CCCNC3

DOS

IR

Vibrations