Geometry & MOs

Info

ID:	448431
PubChem CID:	135290857
Reduced:	OSF3N3C18H18 (1)
Stoich.:	ABC3D3E18F18 (1)
Weight, g/mol:	418.125275
ΔH_f, kcal/mol:	-109.92
Dipole, Da:	3.38
IP(EA), eV:	-8.62(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-one

Drug info:

PubChemData

Smile

CCCCSC1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)OC)C(F)(F)F

DOS

IR

Vibrations