Geometry & MOs

Info

ID:	411572
PubChem CID:	135084404
Reduced:	IC12H21 (1)
Stoich.:	AB12C21 (1)
Weight, g/mol:	335.07461
ΔH_f, kcal/mol:	-18.72
Dipole, Da:	2.88
IP(EA), eV:	-9.2(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[(E)-2-iodo-4-methylpent-2-enyl]piperidin-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC(=CC[C@H]1CCCCC[C@H]1I)C

DOS

IR

Vibrations