Geometry & MOs

Info

ID:	384381
PubChem CID:	134976879
Reduced:	NPO3C28H41 (1)
Stoich.:	ABC3D28E41 (1)
Weight, g/mol:	391.133731
ΔH_f, kcal/mol:	-136.68
Dipole, Da:	14.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.992142
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-methoxy-2-[[methyl(diphenyl)phosphaniumyl]methyl]-3-oxo-1-pyridin-4-ylprop-1-en-1-olate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations