Geometry & MOs

Info

ID:	165344
PubChem CID:	74534832
Reduced:	O3N7C26H31 (1)
Stoich.:	A3B7C26D31 (1)
Weight, g/mol:	428.253589
ΔH_f, kcal/mol:	-21.67
Dipole, Da:	7.36
IP(EA), eV:	-8.75(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C3C(CN2)C(=O)NC(N3)N4C(=CC(=N4)C)NC(=O)COC5=CC=CC=C5C)C

DOS

IR

Vibrations