Geometry & MOs

Info

ID:	182265
PubChem CID:	76867578
Reduced:	ClN3O4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	493.280138
ΔH_f, kcal/mol:	-151.1
Dipole, Da:	2.58
IP(EA), eV:	-8.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpyrazol-4-yl)-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-4,5-dihydropurin-8-yl]propanamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)NC(=O)N2CCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations