Geometry & MOs

Info

ID:	326485
PubChem CID:	126687652
Reduced:	SN2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	240.99636
ΔH_f, kcal/mol:	-10.47
Dipole, Da:	1.01
IP(EA), eV:	-8.92(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-iodopiperidin-4-yl)methanol

Drug info:

PubChemData

Smile

CCCN[C@@H]1CCC2=C(C1)SC(=N2)C(C)C

DOS

IR

Vibrations