Geometry & MOs

Info

ID:	429941
PubChem CID:	135169996
Reduced:	OF3N4H11C14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	297.018367
ΔH_f, kcal/mol:	-109.17
Dipole, Da:	5.16
IP(EA), eV:	-8.57(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-4-yl)-5-(trifluoromethyl)pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN=C2N)N=C(/C(=C\N)/C=O)C(F)(F)F

DOS

IR

Vibrations