Geometry & MOs

Info

ID:	357484
PubChem CID:	127294117
Reduced:	O2F3N4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-147.32
Dipole, Da:	4.32
IP(EA), eV:	-9.11(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2C(=O)C3=CC=C(C=C3)C4=NOC(=N4)C(F)(F)F

DOS

IR

Vibrations