Geometry & MOs

Info

ID:	434780
PubChem CID:	135175701
Reduced:	ClN2F6O6H21C30 (1)
Stoich.:	AB2C6D6E21F30 (1)
Weight, g/mol:	199.193614
ΔH_f, kcal/mol:	-428.83
Dipole, Da:	7.05
IP(EA), eV:	-9.69(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-pentan-2-yloxyethyl)piperidine

Drug info:

PubChemData

Smile

CCC(C1=NC=C(C=C1)C2=C(C=C(C=C2Cl)NC(=O)C3(CC3)C4=C(C=C(C=C4)OC(F)(F)F)F)C(=O)C(C=O)(C=O)C=O)(F)F

DOS

IR

Vibrations