Geometry & MOs

Info

ID:	419313
PubChem CID:	135107967
Reduced:	FN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	356.190006
ΔH_f, kcal/mol:	-135.11
Dipole, Da:	8.56
IP(EA), eV:	-9.32(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl-methylamino]-1-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)CCC3=CC=C(C=C3)F

DOS

IR

Vibrations