Geometry & MOs

Info

ID:	303159
PubChem CID:	124489285
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	254.123069
ΔH_f, kcal/mol:	-67.64
Dipole, Da:	5.56
IP(EA), eV:	-9.01(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-difluorophenyl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)C(=O)COC2=CC=C(C=C2)Cl

DOS

IR

Vibrations