Geometry & MOs

Info

ID:	220224
PubChem CID:	85165381
Reduced:	ClN3O5H38C40 (1)
Stoich.:	AB3C5D38E40 (1)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	-81.5
Dipole, Da:	9.57
IP(EA), eV:	-8.59(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C1C2C(COCC(N1C(=O)C(=N2)CCCN3C(=C(OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=C(C=C6)OCC7=CC=CC=C7)Cl

DOS

IR

Vibrations