Geometry & MOs

Info

ID:	441840
PubChem CID:	135245705
Reduced:	OSF4N6H30C33 (1)
Stoich.:	ABC4D6E30F33 (1)
Weight, g/mol:	331.150761
ΔH_f, kcal/mol:	7.32
Dipole, Da:	7.54
IP(EA), eV:	-8.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-[[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxymethyl]cyclobutyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN(CC(C1=C(C=C(CC1)F)F)(C(C2=NC=C(C=C2)C#CC3CCC=C(C=C3)SCC4=CC=C(C=C4)C#N)(F)F)O)/N=N\N=C

DOS

IR

Vibrations