Geometry & MOs

Info

ID:	415510
PubChem CID:	135088506
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	359.06638
ΔH_f, kcal/mol:	-85.33
Dipole, Da:	2.27
IP(EA), eV:	-8.78(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations