Geometry & MOs

Info

ID:	183142
PubChem CID:	76983721
Reduced:	ClN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	322.03169
ΔH_f, kcal/mol:	-58.0
Dipole, Da:	2.13
IP(EA), eV:	-9.69(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-bromophenyl)prop-2-enoyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations