Geometry & MOs

Info

ID:	269611
PubChem CID:	103618199
Reduced:	BrNOC8H11 (2)
Stoich.:	ABCD8E11 (2)
Weight, g/mol:	313.236542
ΔH_f, kcal/mol:	-101.51
Dipole, Da:	4.13
IP(EA), eV:	-8.64(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[1-oxo-1-(propylamino)propan-2-yl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)Br)Br

DOS

IR

Vibrations