Geometry & MOs

Info

ID:	356528
PubChem CID:	127291675
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	258.159295
ΔH_f, kcal/mol:	-4.39
Dipole, Da:	6.31
IP(EA), eV:	-9.47(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(C1CCCC1)C(=O)CN2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations