Geometry & MOs

Info

ID:	49574
PubChem CID:	11533291
Reduced:	N2F3O6H23C24 (1)
Stoich.:	A2B3C6D23E24 (1)
Weight, g/mol:	492.157324
ΔH_f, kcal/mol:	-342.76
Dipole, Da:	3.76
IP(EA), eV:	-9.05(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[(3R)-1-[(4-cyanophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C=C1)OCC3=NC=CC(=C3OC)OCC(F)(F)F

DOS

IR

Vibrations