Geometry & MOs

Info

ID:	414973
PubChem CID:	135087953
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	-149.15
Dipole, Da:	5.36
IP(EA), eV:	-8.18(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCCC2=CNC3=C2C=C(C=C3)OC

DOS

IR

Vibrations