Geometry & MOs

Info

ID:	333705
PubChem CID:	127252257
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	416.14601
ΔH_f, kcal/mol:	-50.27
Dipole, Da:	4.45
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-3-yl-[3-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C3=CN=CC=C3)O)COC4=CC=CC=C4

DOS

IR

Vibrations