Geometry & MOs

Info

ID:	399151
PubChem CID:	135038293
Reduced:	O6C13H26 (1)
Stoich.:	A6B13C26 (1)
Weight, g/mol:	353.02766
ΔH_f, kcal/mol:	-316.71
Dipole, Da:	5.02
IP(EA), eV:	-10.0(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexen-1-yl)-2-iodo-8a-methylindolizin-1-one

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@H]([C@@H]([C@H](CO)O)O)OC(C)(C)C)C

DOS

IR

Vibrations