Geometry & MOs

Info

ID:	356082
PubChem CID:	127291118
Reduced:	Cl2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	368.08479
ΔH_f, kcal/mol:	-142.79
Dipole, Da:	8.45
IP(EA), eV:	-9.12(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromopyridin-2-yl)-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)NC2CCCOC2)C(=O)NC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations