Geometry & MOs

Info

ID:	323851
PubChem CID:	126676325
Reduced:	N4O5H28C29 (1)
Stoich.:	A4B5C28D29 (1)
Weight, g/mol:	310.109071
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	12.56
IP(EA), eV:	-9.21(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)NC2(CC2)C#N)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC(=CC=C5)N6CCOC6=O

DOS

IR

Vibrations