Geometry & MOs

Info

ID:	232842
PubChem CID:	87577196
Reduced:	ON3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	407.16452
ΔH_f, kcal/mol:	-11.28
Dipole, Da:	3.56
IP(EA), eV:	-8.17(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1Z)-1-(5-benzyl-4,5-dimethyl-3,6-dioxopiperazin-2-ylidene)ethyl]-3-fluoro-4-methoxybenzonitrile

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C(=C1N2CCCCC2)C3=CNC4=CC=CC=C43)C)C)C(=O)N

DOS

IR

Vibrations