Geometry & MOs

Info

ID:	397291
PubChem CID:	135030003
Reduced:	N2O6C29H38 (1)
Stoich.:	A2B6C29D38 (1)
Weight, g/mol:	270.01168
ΔH_f, kcal/mol:	-190.57
Dipole, Da:	4.01
IP(EA), eV:	-9.49(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-iodo-6,6-dimethoxyhex-1-ene

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=N[C@@H](C(=N1)OC)C[C@@H]2[C@H]([C@@H]([C@H](O2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations