Geometry & MOs

Info

ID:	271457
PubChem CID:	103680150
Reduced:	SN2O2C16H30 (1)
Stoich.:	AB2C2D16E30 (1)
Weight, g/mol:	388.08201
ΔH_f, kcal/mol:	-115.27
Dipole, Da:	2.74
IP(EA), eV:	-8.67(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)CNCCSCC=C

DOS

IR

Vibrations