Geometry & MOs

Info

ID:	232119
PubChem CID:	87575558
Reduced:	O6N7C32H39 (1)
Stoich.:	A6B7C32D39 (1)
Weight, g/mol:	427.150761
ΔH_f, kcal/mol:	-168.29
Dipole, Da:	10.14
IP(EA), eV:	-8.96(-0.99)
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]-4-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CCCCCCOC(=O)/N=C(/C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)O)C4=CC=CC=N4)\N.O

DOS

IR

Vibrations