Geometry & MOs

Info

ID:	59924
PubChem CID:	24902488
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	393.131856
ΔH_f, kcal/mol:	-134.73
Dipole, Da:	4.46
IP(EA), eV:	-9.37(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)OC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations