Geometry & MOs

Info

ID:	275474
PubChem CID:	103816358
Reduced:	BrClNOC13H19 (1)
Stoich.:	ABCDE13F19 (1)
Weight, g/mol:	305.210327
ΔH_f, kcal/mol:	-57.7
Dipole, Da:	3.43
IP(EA), eV:	-9.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(6-methylpyridin-3-yl)amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(CCO)NCC1=C(C=C(C=C1)Cl)Br

DOS

IR

Vibrations