Geometry & MOs

Info

ID:	44419
PubChem CID:	10503452
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	444.23006
ΔH_f, kcal/mol:	-96.69
Dipole, Da:	6.42
IP(EA), eV:	-8.85(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[2-(2-methylpropoxy)ethoxy]propoxy]naphthalen-1-yl]naphthalen-2-ol

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=N/C(=C\C2=CC3=CC=CC=C3N2C(=O)OC(C)(C)C)/C(=O)O1)C4=CC=CC=C4

DOS

IR

Vibrations