Geometry & MOs

Info

ID:	359808
PubChem CID:	127299852
Reduced:	N5C20H27 (1)
Stoich.:	A5B20C27 (1)
Weight, g/mol:	315.217144
ΔH_f, kcal/mol:	45.63
Dipole, Da:	4.99
IP(EA), eV:	-8.88(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C2=CC=NC=C2)NC3CCN(C3)C4CCCC4

DOS

IR

Vibrations