Geometry & MOs

Info

ID:	53229
PubChem CID:	14709828
Reduced:	NO4C34H39 (1)
Stoich.:	AB4C34D39 (1)
Weight, g/mol:	525.287909
ΔH_f, kcal/mol:	-119.59
Dipole, Da:	5.5
IP(EA), eV:	-9.32(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(C#N)OC(=O)CCCC

DOS

IR

Vibrations