Geometry & MOs

Info

ID:	55344
PubChem CID:	17395259
Reduced:	NSO3C22H23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	408.227374
ΔH_f, kcal/mol:	-34.93
Dipole, Da:	3.06
IP(EA), eV:	-8.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)OCC=C)C(=O)C2=C(C3=CC=CC=C3O2)CSC

DOS

IR

Vibrations