Geometry & MOs

Info

ID:	24642
PubChem CID:	611612
Reduced:	OC6H6 (4)
Stoich.:	AB6C6 (4)
Weight, g/mol:	376.167459
ΔH_f, kcal/mol:	-123.18
Dipole, Da:	3.15
IP(EA), eV:	-9.16(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-O-methyl 2-O-(4-pentylphenyl) naphthalene-2,6-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OC

DOS

IR

Vibrations