Geometry & MOs

Info

ID:	59933
PubChem CID:	24902542
Reduced:	ClFNO3C17H23 (1)
Stoich.:	ABCD3E17F23 (1)
Weight, g/mol:	360.166077
ΔH_f, kcal/mol:	-199.77
Dipole, Da:	4.2
IP(EA), eV:	-9.16(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[4-(trifluoromethyl)pyridin-2-yl]oxymethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC(=C(C=C2)Cl)F

DOS

IR

Vibrations