Geometry & MOs

Info

ID:	233280
PubChem CID:	89449633
Reduced:	NO5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	692.319662
ΔH_f, kcal/mol:	-163.44
Dipole, Da:	9.87
IP(EA), eV:	-9.52(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]ethoxy]benzoyl]oxyphenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations