Geometry & MOs

Info

ID:	140833
PubChem CID:	52767969
Reduced:	N2O2F3C21H29 (1)
Stoich.:	A2B2C3D21E29 (1)
Weight, g/mol:	398.218113
ΔH_f, kcal/mol:	-261.71
Dipole, Da:	6.69
IP(EA), eV:	-8.55(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)NC[C@H]2CCN(C2)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations