Geometry & MOs

Info

ID:	247821
PubChem CID:	103076879
Reduced:	ClON5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	293.104338
ΔH_f, kcal/mol:	14.79
Dipole, Da:	8.28
IP(EA), eV:	-9.35(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)NC3CCCCCC3O

DOS

IR

Vibrations