Geometry & MOs

Info

ID:	345262
PubChem CID:	127269343
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	318.180424
ΔH_f, kcal/mol:	-40.39
Dipole, Da:	3.21
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)CN(C)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations