Geometry & MOs

Info

ID:	426858
PubChem CID:	135154186
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-38.38
Dipole, Da:	5.69
IP(EA), eV:	-8.82(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C2CNC(=O)C2=N1)N3CCC(CC3)OC4=CN=C(C=C4)OC

DOS

IR

Vibrations