Geometry & MOs

Info

ID:	271458
PubChem CID:	103680151
Reduced:	BrSN2O2C16H25 (1)
Stoich.:	ABC2D2E16F25 (1)
Weight, g/mol:	325.272927
ΔH_f, kcal/mol:	-96.02
Dipole, Da:	4.24
IP(EA), eV:	-9.1(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)CNCC2=C(C=CS2)Br

DOS

IR

Vibrations