Geometry & MOs

Info

ID:	442695
PubChem CID:	135255827
Reduced:	ON5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	606.246497
ΔH_f, kcal/mol:	69.2
Dipole, Da:	3.86
IP(EA), eV:	-9.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(3-acetyloxypropoxy)benzoyl]oxy-3-methylphenyl] 4-[3-(2,2-dimethylpropanoyloxy)propoxy]benzoate

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CN2CCN=C2NN=O

DOS

IR

Vibrations