Geometry & MOs

Info

ID:	187656
PubChem CID:	77606218
Reduced:	ClN2O4C23H29 (1)
Stoich.:	AB2C4D23E29 (1)
Weight, g/mol:	254.174276
ΔH_f, kcal/mol:	-143.55
Dipole, Da:	4.24
IP(EA), eV:	-9.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-8-pentyl-5,7,8,9-tetrahydro-4H-purine-2,6-dione

Drug info:

PubChemData

Smile

CC1C2CC(CCC2C(=O)ON1)NC(=O)C(=O)CC3(CCCC3)C4=CC=CC=C4Cl

DOS

IR

Vibrations