Geometry & MOs

Info

ID:	218026
PubChem CID:	85088764
Reduced:	O11H18C19 (1)
Stoich.:	A11B18C19 (1)
Weight, g/mol:	422.162327
ΔH_f, kcal/mol:	-366.25
Dipole, Da:	6.63
IP(EA), eV:	-9.5(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropyl-8,12-dimethyltrideca-2,7,11-trienyl) phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3(C(=O)C=C(C3(C(=O)OC)O)OC)O)O

DOS

IR

Vibrations