Geometry & MOs

Info

ID:	233279
PubChem CID:	89449621
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	409.188923
ΔH_f, kcal/mol:	-22.74
Dipole, Da:	5.64
IP(EA), eV:	-9.08(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl) 4-[4-(2,2-dimethylbutanoyloxy)butoxy]benzoate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OCCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations