Geometry & MOs

Info

ID:	380493
PubChem CID:	134970954
Reduced:	ClO3N5C11H14 (1)
Stoich.:	AB3C5D11E14 (1)
Weight, g/mol:	408.23006
ΔH_f, kcal/mol:	-81.96
Dipole, Da:	3.02
IP(EA), eV:	-9.32(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]ethoxy]naphthalen-1-ol

Drug info:

PubChemData

Smile

C[C@H]1C(C([C@@H](O1)N2C=NC3=C(N=C(N=C32)Cl)N)(C)O)O

DOS

IR

Vibrations