Geometry & MOs

Info

ID:	329914
PubChem CID:	127246781
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	327.174691
ΔH_f, kcal/mol:	39.79
Dipole, Da:	4.93
IP(EA), eV:	-8.5(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)pyridin-4-yl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C2CCCN2C(=O)C3=C4C=CC=NC4=CC=C3

DOS

IR

Vibrations