Geometry & MOs

Info

ID:	359805
PubChem CID:	127299849
Reduced:	N6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	310.165443
ΔH_f, kcal/mol:	76.49
Dipole, Da:	3.39
IP(EA), eV:	-8.65(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C2=CC=CC=N2)N3CCC4=C(C3)N=C(N4C)C(C)C

DOS

IR

Vibrations