Geometry & MOs

Info

ID:	176068
PubChem CID:	75991564
Reduced:	N2O3C11H12 (2)
Stoich.:	A2B3C11D12 (2)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-209.58
Dipole, Da:	2.71
IP(EA), eV:	-9.03(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-acetyl-5-(2-methoxyphenyl)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=CC5=C(C=C4)OCO5

DOS

IR

Vibrations