Geometry & MOs

Info

ID:	260924
PubChem CID:	103209599
Reduced:	ClION2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	282.155512
ΔH_f, kcal/mol:	-17.65
Dipole, Da:	3.98
IP(EA), eV:	-9.39(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CCC1C2CNCC2CN1C(=O)C3=CC(=C(C=C3)I)Cl

DOS

IR

Vibrations