Geometry & MOs

Info

ID:	270640
PubChem CID:	103637435
Reduced:	SO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	388.08201
ΔH_f, kcal/mol:	-100.59
Dipole, Da:	2.33
IP(EA), eV:	-9.21(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[(5-bromothiophen-2-yl)methylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNCC2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations