Geometry & MOs

Info

ID:	55619
PubChem CID:	17395680
Reduced:	OSN3H15C19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	346.115379
ΔH_f, kcal/mol:	72.53
Dipole, Da:	5.95
IP(EA), eV:	-9.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations