Geometry & MOs

Info

ID:	368102
PubChem CID:	127327478
Reduced:	ClO2N5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	337.126278
ΔH_f, kcal/mol:	-17.04
Dipole, Da:	6.74
IP(EA), eV:	-8.56(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C3=C(C=C(C=N3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations