Geometry & MOs

Info

ID:	148393
PubChem CID:	53788055
Reduced:	O5C23H40 (1)
Stoich.:	A5B23C40 (1)
Weight, g/mol:	341.96531
ΔH_f, kcal/mol:	-268.46
Dipole, Da:	3.18
IP(EA), eV:	-9.7(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dibromonon-1-enyl acetate

Drug info:

PubChemData

Smile

CCCCC(C)(C)[C@@H](C=C[C@H]1[C@@H](C[C@@H]([C@@H]1CC=CCCCC(=O)OC)O)O)O

DOS

IR

Vibrations