Geometry & MOs

Info

ID:	84998
PubChem CID:	49871254
Reduced:	OC7H10 (3)
Stoich.:	AB7C10 (3)
Weight, g/mol:	505.268905
ΔH_f, kcal/mol:	-151.31
Dipole, Da:	7.2
IP(EA), eV:	-9.32(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-6-[2-(2-ethyl-5-methoxypyridin-4-yl)ethyl]oxane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3C[C@H]2OC)(C)C(=O)O)C

DOS

IR

Vibrations