Geometry & MOs

Info

ID:	339604
PubChem CID:	127261594
Reduced:	NPC6O6H14 (1)
Stoich.:	ABC6D6E14 (1)
Weight, g/mol:	302.08814
ΔH_f, kcal/mol:	-319.83
Dipole, Da:	6.26
IP(EA), eV:	-10.93(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4Z)-6-bromocyclooct-4-en-1-yl] hexanoate

Drug info:

PubChemData

Smile

C(CCC(=O)O)CCOP(=O)(O)ON

DOS

IR

Vibrations