Geometry & MOs

Info

ID:	379691
PubChem CID:	134457554
Reduced:	F2O2N4C29H30 (1)
Stoich.:	A2B2C4D29E30 (1)
Weight, g/mol:	421.057371
ΔH_f, kcal/mol:	-80.01
Dipole, Da:	6.8
IP(EA), eV:	-8.86(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-6-(trifluoromethyl)-5-[7-(trifluoromethyl)-1H-indazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)[C@@H]4CCCC(=O)N4C5=CC(=C(C=C5)F)F)C6CCCCC6

DOS

IR

Vibrations