Geometry & MOs

Info

ID:	225827
PubChem CID:	87226487
Reduced:	NOC13H24 (2)
Stoich.:	ABC13D24 (2)
Weight, g/mol:	267.06226
ΔH_f, kcal/mol:	-112.46
Dipole, Da:	2.09
IP(EA), eV:	-9.53(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(E)-oct-1-enyl]pyridine

Drug info:

PubChemData

Smile

CCC[C@@]\1([C@H]2CC[C@]3([C@H]([C@@H]2C(C/C1=N\O)NO)CC[C@@H]3[C@H](C)CCCC(C)C)C)C

DOS

IR

Vibrations