Geometry & MOs

Info

ID:	361409
PubChem CID:	127303275
Reduced:	O3N8C17H20 (1)
Stoich.:	A3B8C17D20 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	-15.34
Dipole, Da:	6.19
IP(EA), eV:	-9.3(-0.73)
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)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations