Geometry & MOs

Info

ID:	257327
PubChem CID:	103145305
Reduced:	ClN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	289.086269
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	4.92
IP(EA), eV:	-9.72(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)-2-fluoropyridine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations