Geometry & MOs

Info

ID:	26097
PubChem CID:	638281
Reduced:	N2O2C5H6 (2)
Stoich.:	A2B2C5D6 (2)
Weight, g/mol:	441.82901
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	2.12
IP(EA), eV:	-10.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-bromo-1,2-diiodooct-1-ene

Drug info:

PubChemData

Smile

C1=C2C(=NC=N1)N(C=N2)[C@@H]3[C@@H]([C@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations