Geometry & MOs

Info

ID:	328732
PubChem CID:	126727010
Reduced:	NO3C13H27 (1)
Stoich.:	AB3C13D27 (1)
Weight, g/mol:	466.319543
ΔH_f, kcal/mol:	-180.31
Dipole, Da:	2.18
IP(EA), eV:	-9.43(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(4-pentylphenyl)diazenyl]phenoxy]hexyl 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CCC(C)(CCOCCN)C(=O)OC(C)(C)C

DOS

IR

Vibrations