Geometry & MOs

Info

ID:	212382
PubChem CID:	81060314
Reduced:	O2S2N4C13H20 (1)
Stoich.:	A2B2C4D13E20 (1)
Weight, g/mol:	269.080041
ΔH_f, kcal/mol:	-57.66
Dipole, Da:	8.07
IP(EA), eV:	-8.55(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(4-nitrophenoxy)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations