Geometry & MOs

Info

ID:	357644
PubChem CID:	127294317
Reduced:	SN6C19H26 (1)
Stoich.:	AB6C19D26 (1)
Weight, g/mol:	366.152827
ΔH_f, kcal/mol:	82.71
Dipole, Da:	5.74
IP(EA), eV:	-8.62(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-propan-2-yl-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

CCC1=CC2=C(N=CN=C2S1)N3CCCN(CC3)CC4=CN(N=C4)CC

DOS

IR

Vibrations