Geometry & MOs

Info

ID:	398758
PubChem CID:	135035255
Reduced:	PO2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	136.125201
ΔH_f, kcal/mol:	-48.01
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.939576
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-3,4-dimethylidenehex-1-ene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)[OH2+]

DOS

IR

Vibrations