Geometry & MOs

Info

ID:	384377
PubChem CID:	134976873
Reduced:	PO2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	326.143567
ΔH_f, kcal/mol:	-101.25
Dipole, Da:	9.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757444
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[[dimethyl(phenyl)phosphaniumyl]-phenylmethyl]-4-oxopent-2-en-2-olate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations