Geometry & MOs

Info

ID:	288613
PubChem CID:	104321376
Reduced:	ClON6C13H15 (1)
Stoich.:	ABC6D13E15 (1)
Weight, g/mol:	239.08254
ΔH_f, kcal/mol:	34.3
Dipole, Da:	6.74
IP(EA), eV:	-9.77(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C3=NC(=NC(=N3)N4C=CN=C4)Cl)O

DOS

IR

Vibrations