Geometry & MOs

Info

ID:	429634
PubChem CID:	135169683
Reduced:	F3N11H16C20 (1)
Stoich.:	A3B11C16D20 (1)
Weight, g/mol:	447.117919
ΔH_f, kcal/mol:	114.09
Dipole, Da:	2.6
IP(EA), eV:	-8.68(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-amino-5-fluoropyridin-2-yl)-N-[5-methyl-6-(triazol-2-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C=C(/C(=C/N)/C(=N/C(=C/1\C=CC=N1)/N=C\N)/C(F)(F)F)NC2=CC(=C(N=C2)N3N=CC=N3)C#N

DOS

IR

Vibrations