Geometry & MOs

Info

ID:	270651
PubChem CID:	103637461
Reduced:	BrSN2O2C16H25 (1)
Stoich.:	ABC2D2E16F25 (1)
Weight, g/mol:	324.187149
ΔH_f, kcal/mol:	-94.78
Dipole, Da:	3.63
IP(EA), eV:	-9.24(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations