Geometry & MOs

Info

ID:	175187
PubChem CID:	75864761
Reduced:	ClN4O5H19C22 (1)
Stoich.:	AB4C5D19E22 (1)
Weight, g/mol:	431.19574
ΔH_f, kcal/mol:	-127.22
Dipole, Da:	3.92
IP(EA), eV:	-8.55(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-methyl-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(C=C2Cl)OCCCO3)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations