Geometry & MOs

Info

ID:	270896
PubChem CID:	103638608
Reduced:	BrClON3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	15.44
Dipole, Da:	5.54
IP(EA), eV:	-10.19(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-methoxy-2-methylanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCN(CC#N)C(=O)C1=C(N=CC(=C1)Br)Cl

DOS

IR

Vibrations