Geometry & MOs

Info

ID:	53228
PubChem CID:	14709827
Reduced:	NO5C30H39 (1)
Stoich.:	AB5C30D39 (1)
Weight, g/mol:	525.287909
ΔH_f, kcal/mol:	-188.36
Dipole, Da:	8.07
IP(EA), eV:	-9.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[cyano(pentanoyloxy)methyl]phenyl] 4-(4-octylphenyl)benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[C@H](C#N)OC(=O)CCCC

DOS

IR

Vibrations