Geometry & MOs

Info

ID:	270318
PubChem CID:	103636030
Reduced:	BrIN2O2C13H14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	403.02983
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	3.74
IP(EA), eV:	-9.64(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(5-bromo-2-chloropyridine-3-carbonyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN1C(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations