Geometry & MOs

Info

ID:	356500
PubChem CID:	127291647
Reduced:	N6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	335.185844
ΔH_f, kcal/mol:	97.07
Dipole, Da:	6.78
IP(EA), eV:	-9.37(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-7-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations