Geometry & MOs

Info

ID:	153155
PubChem CID:	56312302
Reduced:	BrON2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	454.08921
ΔH_f, kcal/mol:	-5.83
Dipole, Da:	4.01
IP(EA), eV:	-8.04(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-4-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]chromen-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC=CC=C3Br

DOS

IR

Vibrations