Geometry & MOs

Info

ID:	260623
PubChem CID:	103197875
Reduced:	ClO2N4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	296.02727
ΔH_f, kcal/mol:	-43.51
Dipole, Da:	6.52
IP(EA), eV:	-9.4(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)C3=C(C(=O)N=CN3)Cl

DOS

IR

Vibrations