Geometry & MOs

Info

ID:	152238
PubChem CID:	56311128
Reduced:	ON4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	430.10044
ΔH_f, kcal/mol:	48.94
Dipole, Da:	8.6
IP(EA), eV:	-8.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CN4C=CC=CC4=C3C#N

DOS

IR

Vibrations