Geometry & MOs

Info

ID:	183145
PubChem CID:	76983724
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	312.043233
ΔH_f, kcal/mol:	-16.48
Dipole, Da:	4.4
IP(EA), eV:	-9.79(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2,6-dichlorophenyl)prop-2-enoyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C=CC2=CC=C(C=C2)C#N

DOS

IR

Vibrations