Geometry & MOs

Info

ID:	176067
PubChem CID:	75991563
Reduced:	BrN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	440.169585
ΔH_f, kcal/mol:	-142.38
Dipole, Da:	2.7
IP(EA), eV:	-9.65(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-acetyl-5-(1,3-benzodioxol-5-yl)pyrazolidin-3-ylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(=O)N1C(CC(=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)N1)C4=CC=C(C=C4)Br

DOS

IR

Vibrations