Geometry & MOs

Info

ID:	262508
PubChem CID:	103297481
Reduced:	FN2O4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	309.031647
ΔH_f, kcal/mol:	-116.58
Dipole, Da:	6.53
IP(EA), eV:	-10.01(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloropyridin-3-yl)-2-fluoro-3-methyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)NC2CC3CCC2O3)[N+](=O)[O-]

DOS

IR

Vibrations