Geometry & MOs

Info

ID:	339611
PubChem CID:	127261601
Reduced:	O5C16H20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	471.355988
ΔH_f, kcal/mol:	-200.93
Dipole, Da:	2.98
IP(EA), eV:	-10.08(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-hexanoyloxybutan-2-yl(2-hexanoyloxyethyl)amino]ethyl hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1COC(OC1=O)C2=CC=CC=C2

DOS

IR

Vibrations