Geometry & MOs

Info

ID:	273997
PubChem CID:	103806390
Reduced:	OSN3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	392.01524
ΔH_f, kcal/mol:	0.24
Dipole, Da:	4.91
IP(EA), eV:	-9.33(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-iodophenyl)methanone

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(=O)NCCNC2CC2

DOS

IR

Vibrations