Geometry & MOs

Info

ID:	329911
PubChem CID:	127246778
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	327.174691
ΔH_f, kcal/mol:	-36.13
Dipole, Da:	6.63
IP(EA), eV:	-8.37(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C2CCCN2C(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations