Geometry & MOs

Info

ID:	266657
PubChem CID:	103577943
Reduced:	NSO3F4C11H11 (1)
Stoich.:	ABC3D4E11F11 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-295.02
Dipole, Da:	3.53
IP(EA), eV:	-10.44(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-ethylhexylamino)-3-nitropyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC(C(F)F)(F)F

DOS

IR

Vibrations