Geometry & MOs

Info

ID:	326363
PubChem CID:	126687394
Reduced:	NOF3C23H26 (1)
Stoich.:	ABC3D23E26 (1)
Weight, g/mol:	405.227949
ΔH_f, kcal/mol:	-186.13
Dipole, Da:	3.95
IP(EA), eV:	-9.07(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S)-4-(3-phenylpropyl)-1-[2-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1(CC3=CC=CC=C3)O)CCC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations