Geometry & MOs

Info

ID:	303190
PubChem CID:	124489335
Reduced:	OF2N2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	254.123069
ΔH_f, kcal/mol:	-115.48
Dipole, Da:	4.3
IP(EA), eV:	-9.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-difluorophenyl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations