Geometry & MOs

Info

ID:	26541
PubChem CID:	652150
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	356.105545
ΔH_f, kcal/mol:	44.25
Dipole, Da:	6.04
IP(EA), eV:	-8.87(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NC(=C(O2)NCCCN3C=CN=C3)C#N

DOS

IR

Vibrations