Geometry & MOs

Info

ID:	270638
PubChem CID:	103637426
Reduced:	BrO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	388.08201
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	4.65
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[(5-bromothiophen-3-yl)methylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CCNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations