Geometry & MOs

Info

ID:	218193
PubChem CID:	85089014
Reduced:	NOCl2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	438.193627
ΔH_f, kcal/mol:	-72.79
Dipole, Da:	3.21
IP(EA), eV:	-8.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(C1=C(C=C(C=C1Cl)OC)Cl)C(C2=C(C=C(C=C2Cl)OC)Cl)N

DOS

IR

Vibrations