Geometry & MOs

Info

ID:	355919
PubChem CID:	127290771
Reduced:	N2O5C15H18 (1)
Stoich.:	A2B5C15D18 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	-179.1
Dipole, Da:	3.57
IP(EA), eV:	-9.3(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(oxan-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations