Geometry & MOs

Info

ID:	183143
PubChem CID:	76983722
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	340.02227
ΔH_f, kcal/mol:	-46.03
Dipole, Da:	2.14
IP(EA), eV:	-9.75(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(5-bromo-2-fluorophenyl)prop-2-enoyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C=CC2=CC=C(C=C2)Br

DOS

IR

Vibrations