Geometry & MOs

Info

ID:	264784
PubChem CID:	103489996
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	411.95349
ΔH_f, kcal/mol:	-162.39
Dipole, Da:	2.71
IP(EA), eV:	-9.44(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-[1-(1-ethoxypropan-2-yloxy)-2-iodoethyl]benzene

Drug info:

PubChemData

Smile

CCOCC(C)OCCC(C1=CC=CC=C1)(C(=O)OC)N

DOS

IR

Vibrations