Geometry & MOs

Info

ID:	186601
PubChem CID:	77451699
Reduced:	OCl2N7C22H27 (1)
Stoich.:	AB2C7D22E27 (1)
Weight, g/mol:	384.135304
ΔH_f, kcal/mol:	10.47
Dipole, Da:	4.6
IP(EA), eV:	-9.03(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[(3-chloro-5-methylphenyl)methylidene]piperazine-2,5-dione

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1CN(CCC1C)C2=NC=NC3=C2C=NN3)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations