Geometry & MOs

Info

ID:	303139
PubChem CID:	124489261
Reduced:	ON2F3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	300.144948
ΔH_f, kcal/mol:	-192.77
Dipole, Da:	5.86
IP(EA), eV:	-9.36(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)C(=O)CC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations