Geometry & MOs

Info

ID:	362228
PubChem CID:	127307241
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	315.180758
ΔH_f, kcal/mol:	-13.78
Dipole, Da:	7.84
IP(EA), eV:	-9.59(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)N4CCOCC4

DOS

IR

Vibrations