Geometry & MOs

Info

ID:	411363
PubChem CID:	135084186
Reduced:	HNF4C7 (1)
Stoich.:	ABC4D7 (1)
Weight, g/mol:	209.043656
ΔH_f, kcal/mol:	-100.29
Dipole, Da:	1.88
IP(EA), eV:	-10.61(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-4-(2-nitroprop-1-enyl)pyridine

Drug info:

PubChemData

Smile

[C-]#[N+]C1=C(C(=CC(=C1F)F)F)F

DOS

IR

Vibrations