Geometry & MOs

Info

ID:	362230
PubChem CID:	127307243
Reduced:	ON6C14H16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	301.165108
ΔH_f, kcal/mol:	61.23
Dipole, Da:	7.21
IP(EA), eV:	-9.5(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-(1-ethylpyrazol-4-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)NC4=CC=CC=N4

DOS

IR

Vibrations