Geometry & MOs

Info

ID:	123094
PubChem CID:	50832821
Reduced:	BrFO3N4H18C19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	479.1532
ΔH_f, kcal/mol:	-119.18
Dipole, Da:	3.8
IP(EA), eV:	-9.21(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-4-[2-[2-(2-methylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)CN1C(=O)NC2=CC=C(C=C2)Br)CC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations