Geometry & MOs

Info

ID:	433121
PubChem CID:	135173258
Reduced:	ON4C8H10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	21.99
Dipole, Da:	3.46
IP(EA), eV:	-8.76(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(cyclopentylmethoxy)piperidin-1-yl]-2,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

Drug info:

PubChemData

Smile

CC1=CN2C(=NN(C2=O)C)N=C1C

DOS

IR

Vibrations