Geometry & MOs

Info

ID:	172248
PubChem CID:	75484484
Reduced:	ON2F3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	289.063346
ΔH_f, kcal/mol:	-191.16
Dipole, Da:	5.14
IP(EA), eV:	-9.11(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)OC2CCN(CC2)CC(F)(F)F

DOS

IR

Vibrations