Geometry & MOs

Info

ID:	260642
PubChem CID:	103198631
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	339.06947
ΔH_f, kcal/mol:	-33.55
Dipole, Da:	4.94
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=C(C(=NC=N1)N2CCCC3C2CNC3=O)OC

DOS

IR

Vibrations