Geometry & MOs

Info

ID:	339612
PubChem CID:	127261602
Reduced:	NO6C26H49 (1)
Stoich.:	AB6C26D49 (1)
Weight, g/mol:	400.188589
ΔH_f, kcal/mol:	-352.67
Dipole, Da:	3.35
IP(EA), eV:	-8.89(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 4-(2-ethoxybenzoyl)oxy-3-methoxybenzoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OCCN(CCOC(=O)CCCCC)C(CC)COC(=O)CCCCC

DOS

IR

Vibrations