Geometry & MOs

Info

ID:	446879
PubChem CID:	135278417
Reduced:	BrN2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	384.214803
ΔH_f, kcal/mol:	-148.97
Dipole, Da:	4.84
IP(EA), eV:	-9.61(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]ethoxy]acetate

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)OCCCBr

DOS

IR

Vibrations