Geometry & MOs

Info

ID:	449186
PubChem CID:	135296637
Reduced:	OF3N7H12C19 (1)
Stoich.:	AB3C7D12E19 (1)
Weight, g/mol:	404.100872
ΔH_f, kcal/mol:	-36.54
Dipole, Da:	2.66
IP(EA), eV:	-8.99(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NC=N1)C(=O)NC2=NC=C3C=C(NC3=C2)C4=C(C=CC(=C4)C#N)C(F)(F)F

DOS

IR

Vibrations