Geometry & MOs

Info

ID:	387589
PubChem CID:	134986014
Reduced:	OC16H16 (1)
Stoich.:	AB16C16 (1)
Weight, g/mol:	245.98916
ΔH_f, kcal/mol:	16.29
Dipole, Da:	1.82
IP(EA), eV:	-8.55(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-bromo-6-methoxyhex-2-en-4-ynoate

Drug info:

PubChemData

Smile

C/C=C/COC1=CC=CC=C1C2=CC=CC=C2

DOS

IR

Vibrations