Geometry & MOs

Info

ID:	381845
PubChem CID:	134972693
Reduced:	ClNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	344.141245
ΔH_f, kcal/mol:	-92.79
Dipole, Da:	4.3
IP(EA), eV:	-9.61(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethoxymethyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

Drug info:

PubChemData

Smile

CC(C)C[C@@H]([C@H](CC=C)Cl)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations