Geometry & MOs

Info

ID:	405425
PubChem CID:	135073874
Reduced:	OPH16C22 (1)
Stoich.:	ABC16D22 (1)
Weight, g/mol:	214.148652
ΔH_f, kcal/mol:	54.89
Dipole, Da:	4.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.202622
Charge, e:	0

Chem-info

IUPAC name:

2-bis(but-3-enyl)phosphoryl-2-methylpropane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](=O)C2=CC=CC=C2C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations