Geometry & MOs

Info

ID:	370583
PubChem CID:	127339721
Reduced:	ON6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	73.15
Dipole, Da:	3.29
IP(EA), eV:	-9.09(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations