Geometry & MOs

Info

ID:	271942
PubChem CID:	103703382
Reduced:	ClO2N3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-80.34
Dipole, Da:	5.92
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(hydroxymethyl)cyclopentyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC2=C(C(=O)NN=C2)Cl

DOS

IR

Vibrations