Geometry & MOs

Info

ID:	51540
PubChem CID:	12014224
Reduced:	O3C16H17 (2)
Stoich.:	A3B16C17 (2)
Weight, g/mol:	794.360739
ΔH_f, kcal/mol:	-205.74
Dipole, Da:	1.66
IP(EA), eV:	-8.15(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[1-[2-(5-ethoxy-5-oxopentoxy)-3-naphthalen-2-ylnaphthalen-1-yl]-3-naphthalen-2-ylnaphthalen-2-yl]oxypentanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCOC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)OCCCC(=O)OCC

DOS

IR

Vibrations