Geometry & MOs

Info

ID:	318794
PubChem CID:	126653279
Reduced:	NF2O2H7C9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	182.049156
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	6.72
IP(EA), eV:	-10.1(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-methyl-2-[(E)-2-nitroethenyl]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)/C=C/[N+](=O)[O-])F

DOS

IR

Vibrations