Geometry & MOs

Info

ID:	323576
PubChem CID:	126675502
Reduced:	IN3C6H10 (1)
Stoich.:	AB3C6D10 (1)
Weight, g/mol:	311.129472
ΔH_f, kcal/mol:	41.47
Dipole, Da:	4.25
IP(EA), eV:	-9.56(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CCC(C1=NNC(=N1)C)I

DOS

IR

Vibrations