Geometry & MOs

Info

ID:	177985
PubChem CID:	76260520
Reduced:	O4N5C24H41 (1)
Stoich.:	A4B5C24D41 (1)
Weight, g/mol:	472.279804
ΔH_f, kcal/mol:	-229.14
Dipole, Da:	3.71
IP(EA), eV:	-9.39(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-butyl-2,6-dioxo-7-pentyl-4,5-dihydropurin-8-yl)-N-(1-ethyl-6-oxopyridin-3-yl)propanamide

Drug info:

PubChemData

Smile

CCCCCNC(=O)C1CCN(CC1)C(=O)C2CC(NC3C2C(=O)NC(=O)N3CC)C(C)C

DOS

IR

Vibrations