Geometry & MOs

Info

ID:	51539
PubChem CID:	12014223
Reduced:	ClNOH8C11 (1)
Stoich.:	ABCD8E11 (1)
Weight, g/mol:	514.235539
ΔH_f, kcal/mol:	33.63
Dipole, Da:	1.9
IP(EA), eV:	-9.1(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[1-[2-(4-ethoxy-4-oxobutoxy)naphthalen-1-yl]naphthalen-2-yl]oxybutanoate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)/C(=N/O)/Cl

DOS

IR

Vibrations