Geometry & MOs

Info

ID:	370698
PubChem CID:	127339890
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	42.72
Dipole, Da:	3.21
IP(EA), eV:	-9.68(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)C(=O)CCN3C=CN=N3

DOS

IR

Vibrations