Geometry & MOs

Info

ID:	179126
PubChem CID:	76439646
Reduced:	O2N5C15H17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	278.149124
ΔH_f, kcal/mol:	-30.19
Dipole, Da:	1.45
IP(EA), eV:	-8.35(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-pyrimidin-2-yloxypiperidin-1-yl)-(triazolidin-4-yl)methanone

Drug info:

PubChemData

Smile

CN1CC(=O)N2CC(CC2C1=O)NC3=NC4=C(C=C3)C=CN4

DOS

IR

Vibrations