Geometry & MOs

Info

ID:	440902
PubChem CID:	135232117
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	910.559499
ΔH_f, kcal/mol:	37.72
Dipole, Da:	2.8
IP(EA), eV:	-8.53(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(oxiran-2-ylmethyl) 2,5-bis[6-[4-(4-propylcyclohexyl)phenoxy]hexoxy]benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)/C=N/N=C/C2=CC=CC=C2

DOS

IR

Vibrations