Geometry & MOs

Info

ID:	141512
PubChem CID:	52886148
Reduced:	BrFOSN2H12C14 (1)
Stoich.:	ABCDE2F12G14 (1)
Weight, g/mol:	373.176342
ΔH_f, kcal/mol:	-32.26
Dipole, Da:	3.0
IP(EA), eV:	-8.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[3-[methyl-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propyl]-1H-pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SCCC(=O)NC2=NC=C(C=C2)F)Br

DOS

IR

Vibrations