Geometry & MOs

Info

ID:	183078
PubChem CID:	76976293
Reduced:	O2N3F4C10H11 (1)
Stoich.:	A2B3C4D10E11 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-175.55
Dipole, Da:	4.33
IP(EA), eV:	-8.73(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[amino(nitroso)methylidene]-3H-pyridin-3-yl]methyl]-N-ethylaniline

Drug info:

PubChemData

Smile

C1=CC(C(=C(N)N=O)N=C1)COCC(C(F)F)(F)F

DOS

IR

Vibrations