Geometry & MOs

Info

ID:	323337
PubChem CID:	126674330
Reduced:	OF3N7H22C23 (1)
Stoich.:	AB3C7D22E23 (1)
Weight, g/mol:	260.087353
ΔH_f, kcal/mol:	-41.56
Dipole, Da:	1.82
IP(EA), eV:	-9.07(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(difluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NOC(=N1)N2CC3CCC(C2)C3NC4=NN5C=CC=C(C5=N4)C6=CC=C(C=C6)C(F)(F)F

DOS

IR

Vibrations