Geometry & MOs

Info

ID:	401047
PubChem CID:	135049907
Reduced:	BrNaH2O3C5 (1)
Stoich.:	ABC2D3E5 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-127.02
Dipole, Da:	10.2
IP(EA), eV:	-9.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-ethoxy-4-(4-methylpent-3-enylidene)oxolane

Drug info:

PubChemData

Smile

C1=C(OC(=C1)Br)C(=O)[O-].[Na+]

DOS

IR

Vibrations