Geometry & MOs

Info

ID:	159782
PubChem CID:	57288744
Reduced:	IF3O4C23H36 (1)
Stoich.:	AB3C4D23E36 (1)
Weight, g/mol:	211.23
ΔH_f, kcal/mol:	-375.19
Dipole, Da:	2.59
IP(EA), eV:	-9.58(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-(5-methylhexyl)piperidine

Drug info:

PubChemData

Smile

CCCC[C@](C)([C@@H](C=C[C@H]1CC[C@H]2[C@@H]1C[C@H](O2)[C@H](CCCC(=O)OC)I)O)C(F)(F)F

DOS

IR

Vibrations