Geometry & MOs

Info

ID:	425461
PubChem CID:	135126411
Reduced:	FO2N3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	307.90135
ΔH_f, kcal/mol:	-101.43
Dipole, Da:	3.93
IP(EA), eV:	-8.66(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(1-fluoro-2-iodoethenyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCN(CC1)C2=NC=C(C=C2)F

DOS

IR

Vibrations