Geometry & MOs

Info

ID:	362604
PubChem CID:	127308375
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	299.149458
ΔH_f, kcal/mol:	-93.41
Dipole, Da:	8.92
IP(EA), eV:	-8.62(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-(2-methylpyrimidin-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CN1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)N(C)CC3CCC3

DOS

IR

Vibrations