Geometry & MOs

Info

ID:	152359
PubChem CID:	56311274
Reduced:	O2F3N3C22H24 (1)
Stoich.:	A2B3C3D22E24 (1)
Weight, g/mol:	444.10486
ΔH_f, kcal/mol:	-213.7
Dipole, Da:	4.38
IP(EA), eV:	-9.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations