Geometry & MOs

Info

ID:	362237
PubChem CID:	127307250
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	358.082365
ΔH_f, kcal/mol:	7.11
Dipole, Da:	4.44
IP(EA), eV:	-9.54(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)N2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations