Geometry & MOs

Info

ID:	288612
PubChem CID:	104321373
Reduced:	ClON3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	306.099587
ΔH_f, kcal/mol:	-48.25
Dipole, Da:	4.1
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)C(C)C)N2CC3CCC(C3C2)O

DOS

IR

Vibrations