Geometry & MOs

Info

ID:	166636
PubChem CID:	74718903
Reduced:	BrNO4C24H28 (1)
Stoich.:	ABC4D24E28 (1)
Weight, g/mol:	410.15005
ΔH_f, kcal/mol:	-151.41
Dipole, Da:	3.02
IP(EA), eV:	-9.44(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-methyl-7-(trifluoromethyl)-1,2,3,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C1C(=O)OCC3CCCO3)C4=CC(=CC=C4)Br)C(=O)CC(C2)(C)C

DOS

IR

Vibrations