Geometry & MOs

Info

ID:	420058
PubChem CID:	135110937
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	339.155847
ΔH_f, kcal/mol:	-22.93
Dipole, Da:	4.7
IP(EA), eV:	-8.55(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCCOC1CCCN(C1)C2=C(C(=C(C(=N2)C)C)C)C#N

DOS

IR

Vibrations