Geometry & MOs

Info

ID:	369665
PubChem CID:	127334995
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	-14.07
Dipole, Da:	4.55
IP(EA), eV:	-8.96(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CCC3=CC4=CC=CC=C4O3)O

DOS

IR

Vibrations