Geometry & MOs

Info

ID:	384233
PubChem CID:	134976591
Reduced:	C13H16 (1)
Stoich.:	A13B16 (1)
Weight, g/mol:	600.392708
ΔH_f, kcal/mol:	49.21
Dipole, Da:	0.71
IP(EA), eV:	-9.26(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxalate;1-(7-phenylhept-3-ynyl)piperidin-1-ium

Drug info:

PubChemData

Smile

CC12C=CC3C(C1=C)(C3(C2=C)C)C

DOS

IR

Vibrations