Geometry & MOs

Info

ID:	14725
PubChem CID:	419108
Reduced:	PO2H28C29 (1)
Stoich.:	AB2C28D29 (1)
Weight, g/mol:	440.190517
ΔH_f, kcal/mol:	26.09
Dipole, Da:	9.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.948080
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(triphenyl-lambda5-phosphanyl)butoxy]benzaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(CCCCOC2=CC=CC=C2C=O)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations