Geometry & MOs

Info

ID:	165187
PubChem CID:	74513876
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	469.268905
ΔH_f, kcal/mol:	-138.47
Dipole, Da:	3.98
IP(EA), eV:	-8.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-3-(3-butyl-2,6-dioxo-7-pentyl-4,5-dihydropurin-8-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1)C=CC(=O)NCC2=CC3=C(C=C2)OCO3)OC

DOS

IR

Vibrations