Geometry & MOs

Info

ID:	226646
PubChem CID:	87550957
Reduced:	O3C6H8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	337.122655
ΔH_f, kcal/mol:	-227.81
Dipole, Da:	3.92
IP(EA), eV:	-10.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-fluoro-3-phenylprop-2-ynylidene)piperidin-1-yl]-3-nitropyridine

Drug info:

PubChemData

Smile

CC(=CCC(=C)C(=O)OC)C(=O)O.C=CC(=O)O

DOS

IR

Vibrations