Geometry & MOs

Info

ID:	399814
PubChem CID:	135042895
Reduced:	BrOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	445.91131
ΔH_f, kcal/mol:	-66.67
Dipole, Da:	4.66
IP(EA), eV:	-9.75(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCC(=O)C1=C(CCC(C1)C)Br

DOS

IR

Vibrations