Geometry & MOs

Info

ID:	40597
PubChem CID:	8144397
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	280.123206
ΔH_f, kcal/mol:	-68.08
Dipole, Da:	7.56
IP(EA), eV:	-9.2(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5,7-dimethyl-2-(morpholin-4-ium-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)N(C)CC(=O)NC(C)(C)C

DOS

IR

Vibrations