Geometry & MOs

Info

ID:	226931
PubChem CID:	87559032
Reduced:	BrNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	219.110673
ΔH_f, kcal/mol:	9.28
Dipole, Da:	3.05
IP(EA), eV:	-8.2(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(2-isocyanatoethoxy)ethoxy]ethoxy]ethanol

Drug info:

PubChemData

Smile

CC[N+]1=CC(=C(C=C1)C=C)C2CO2.[Br-]

DOS

IR

Vibrations