Geometry & MOs

Info

ID:	156169
PubChem CID:	56369395
Reduced:	BrClON3H17C18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	413.96498
ΔH_f, kcal/mol:	16.18
Dipole, Da:	3.41
IP(EA), eV:	-8.24(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-chloropyridin-3-yl)-[4-(5-chloropyridin-2-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CN1C=CC2=C1C=CC(=C2)NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations