Geometry & MOs

Info

ID:	275567
PubChem CID:	103816623
Reduced:	BrN3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	382.12559
ΔH_f, kcal/mol:	-44.33
Dipole, Da:	6.47
IP(EA), eV:	-9.77(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(2-bromo-4,6-dimethylanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Br)N

DOS

IR

Vibrations