Geometry & MOs

Info

ID:	362020
PubChem CID:	127305549
Reduced:	OSN6C15H24 (1)
Stoich.:	ABC6D15E24 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	46.2
Dipole, Da:	1.92
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1CN2CCC1CC2)SC3=NN=NN3C4CC4

DOS

IR

Vibrations