Geometry & MOs

Info

ID:	288695
PubChem CID:	104324013
Reduced:	ON4C11H16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	340.08987
ΔH_f, kcal/mol:	-16.61
Dipole, Da:	1.34
IP(EA), eV:	-8.71(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-2-(propylamino)pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C3=NC(=CN=C3)N)O

DOS

IR

Vibrations