Geometry & MOs

Info

ID:	217774
PubChem CID:	85088363
Reduced:	Cl3O8C12H19 (1)
Stoich.:	A3B8C12D19 (1)
Weight, g/mol:	397.334465
ΔH_f, kcal/mol:	-402.58
Dipole, Da:	2.95
IP(EA), eV:	-10.53(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,7-dimethylocta-2,6-dienoxy)-4-(2,8-dimethyl-6-tricyclo[4.4.0.02,8]decanyl)pent-3-en-2-imine

Drug info:

PubChemData

Smile

C(C1C(C(C(O1)(CCl)OC2C(C(C(C(O2)CCl)Cl)O)O)O)O)O

DOS

IR

Vibrations