Geometry & MOs

Info

ID:	379632
PubChem CID:	134452362
Reduced:	O2F3N3C16H20 (1)
Stoich.:	A2B3C3D16E20 (1)
Weight, g/mol:	367.085636
ΔH_f, kcal/mol:	-241.31
Dipole, Da:	6.3
IP(EA), eV:	-9.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)NC(=N2)CN(C)C(=O)OC(C)(C)C)C(F)(F)F

DOS

IR

Vibrations