Geometry & MOs

Info

ID:	172136
PubChem CID:	75471152
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	393.039497
ΔH_f, kcal/mol:	-33.51
Dipole, Da:	9.51
IP(EA), eV:	-8.54(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=C(C=C2)OC)C(=O)NC3=CC=CC=C3COC

DOS

IR

Vibrations