Geometry & MOs

Info

ID:	270648
PubChem CID:	103637456
Reduced:	BrSN2O2C16H25 (1)
Stoich.:	ABC2D2E16F25 (1)
Weight, g/mol:	325.182398
ΔH_f, kcal/mol:	-86.1
Dipole, Da:	1.54
IP(EA), eV:	-9.17(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)CNCC2=CSC(=C2)Br

DOS

IR

Vibrations