Geometry & MOs

Info

ID:	188630
PubChem CID:	77745252
Reduced:	BrN3O3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-44.51
Dipole, Da:	9.25
IP(EA), eV:	-9.77(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4aH-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=NC(=O)N=CC2Br

DOS

IR

Vibrations