Geometry & MOs

Info

ID:	156310
PubChem CID:	56370044
Reduced:	BrO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	437.05057
ΔH_f, kcal/mol:	-50.49
Dipole, Da:	4.4
IP(EA), eV:	-9.54(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C(=O)C1=C(N(N=N1)C2=CC(=CC=C2)Br)C

DOS

IR

Vibrations