Geometry & MOs

Info

ID:	140832
PubChem CID:	52767968
Reduced:	N2O2F3C17H23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	398.218113
ΔH_f, kcal/mol:	-251.69
Dipole, Da:	6.29
IP(EA), eV:	-8.59(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[[(3R)-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC[C@H]1CCN(C1)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations