Geometry & MOs

Info

ID:	303160
PubChem CID:	124489288
Reduced:	OF2N2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-114.31
Dipole, Da:	5.3
IP(EA), eV:	-9.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylphenyl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)C(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations