Geometry & MOs

Info

ID:	270647
PubChem CID:	103637454
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	388.08201
ΔH_f, kcal/mol:	-91.2
Dipole, Da:	2.34
IP(EA), eV:	-9.07(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(5-bromothiophen-3-yl)methylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNCC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations