Geometry & MOs

Info

ID:	23335
PubChem CID:	603130
Reduced:	BrO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	364.10379
ΔH_f, kcal/mol:	-50.43
Dipole, Da:	3.06
IP(EA), eV:	-9.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodec-9-ynyl 2-bromobenzoate

Drug info:

PubChemData

Smile

CCC#CCCCCCCCCOC(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations