Geometry & MOs

Info

ID:	204951
PubChem CID:	80035766
Reduced:	N6C11H12 (1)
Stoich.:	A6B11C12 (1)
Weight, g/mol:	235.123324
ΔH_f, kcal/mol:	115.01
Dipole, Da:	5.19
IP(EA), eV:	-9.12(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4-diazepan-1-yl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

C1=CC2=NC(=NN2C=C1)NCCN3C=CN=C3

DOS

IR

Vibrations