Geometry & MOs

Info

ID:	270652
PubChem CID:	103637466
Reduced:	SN2O2C17H28 (1)
Stoich.:	AB2C2D17E28 (1)
Weight, g/mol:	338.176106
ΔH_f, kcal/mol:	-103.98
Dipole, Da:	2.39
IP(EA), eV:	-8.8(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(4-chlorophenyl)methylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNCC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations