Geometry & MOs

Info

ID:	399219
PubChem CID:	135038836
Reduced:	BrNC17H32 (1)
Stoich.:	ABC17D32 (1)
Weight, g/mol:	284.125988
ΔH_f, kcal/mol:	-47.73
Dipole, Da:	3.2
IP(EA), eV:	-8.85(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-ethoxy-2-oxoethyl)-2,4-dihydroxy-3-methylidenecyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

CCC/C(=C(\CCC)/C(=C(/CCC)\Br)/CCC)/CN

DOS

IR

Vibrations