Geometry & MOs

Info

ID:	355279
PubChem CID:	127288236
Reduced:	SN7C15H21 (1)
Stoich.:	AB7C15D21 (1)
Weight, g/mol:	324.105877
ΔH_f, kcal/mol:	117.82
Dipole, Da:	4.89
IP(EA), eV:	-8.65(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

CC1=CN2C(=N1)SC(=N2)N3CCCN(CC3)CC4=CN(N=C4)C

DOS

IR

Vibrations