Geometry & MOs

Info

ID:	288611
PubChem CID:	104321370
Reduced:	ClON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	295.14514
ΔH_f, kcal/mol:	-34.36
Dipole, Da:	3.04
IP(EA), eV:	-8.78(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C3=NC(=CC=C3)Cl)O

DOS

IR

Vibrations