Geometry & MOs

Info

ID:	442462
PubChem CID:	135252251
Reduced:	N2F3O5C26H31 (1)
Stoich.:	A2B3C5D26E31 (1)
Weight, g/mol:	275.105862
ΔH_f, kcal/mol:	-342.89
Dipole, Da:	8.22
IP(EA), eV:	-8.58(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[nitroso(phenyl)methylidene]-6-pyridin-2-yl-1H-pyridine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2CC3(CCN(CC3)C(=O)OC(COCC4=CC=C(C=C4)OC)C(F)(F)F)OC2

DOS

IR

Vibrations