Geometry & MOs

Info

ID:	53573
PubChem CID:	14716708
Reduced:	N2O3H22C24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	586.40221
ΔH_f, kcal/mol:	-14.34
Dipole, Da:	7.96
IP(EA), eV:	-8.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-octan-2-yloxyphenyl) 4-[2-(4-decoxyphenyl)ethyl]benzoate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C=C(O2)/C=C\3/C(C(C(=O)O3)C#N)C4=CC=CC=C4

DOS

IR

Vibrations