Geometry & MOs

Info

ID:	361370
PubChem CID:	127303236
Reduced:	ON6C19H26 (1)
Stoich.:	AB6C19D26 (1)
Weight, g/mol:	339.180758
ΔH_f, kcal/mol:	47.19
Dipole, Da:	2.23
IP(EA), eV:	-9.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations