Geometry & MOs

Info

ID:	260643
PubChem CID:	103198688
Reduced:	BrON5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	-6.41
Dipole, Da:	5.46
IP(EA), eV:	-8.98(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)N2CCCC3C2CNC3=O)Br

DOS

IR

Vibrations