Geometry & MOs

Info

ID:	25250
PubChem CID:	621619
Reduced:	NC20H23 (1)
Stoich.:	AB20C23 (1)
Weight, g/mol:	331.021402
ΔH_f, kcal/mol:	82.61
Dipole, Da:	1.18
IP(EA), eV:	-8.77(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-2,2-bis(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(C)(C)C#CC2=CC=CC=C2

DOS

IR

Vibrations