Geometry & MOs

Info

ID:	233286
PubChem CID:	89649804
Reduced:	NO6C11H23 (1)
Stoich.:	AB6C11D23 (1)
Weight, g/mol:	336.144948
ΔH_f, kcal/mol:	-306.47
Dipole, Da:	3.02
IP(EA), eV:	-9.88(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-benzyl-4-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CCCCC(=O)NCC(C(C(C(CO)O)O)O)O

DOS

IR

Vibrations