Geometry & MOs

Info

ID:	384379
PubChem CID:	134976875
Reduced:	PO2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	469.274581
ΔH_f, kcal/mol:	-50.37
Dipole, Da:	11.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757976
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methoxycarbonyl-3-phenyl-1-pyridin-4-yl-3-tributylphosphaniumylprop-1-en-1-olate

Drug info:

PubChemData

Smile

C/C(=C(/C(C1=CC=CC=C1)[P+](C)(C)C2=CC=CC=C2)\C(=O)C)/O

DOS

IR

Vibrations