Geometry & MOs

Info

ID:	176065
PubChem CID:	75991223
Reduced:	N2O5C24H26 (1)
Stoich.:	A2B5C24D26 (1)
Weight, g/mol:	472.195799
ΔH_f, kcal/mol:	-176.62
Dipole, Da:	6.57
IP(EA), eV:	-8.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)C2CC3C(CC(CC3=O)C4=CC=CC=C4)NC2=O)OC

DOS

IR

Vibrations