Geometry & MOs

Info

ID:	346805
PubChem CID:	127271309
Reduced:	FO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	357.14887
ΔH_f, kcal/mol:	-112.44
Dipole, Da:	3.23
IP(EA), eV:	-8.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CN=CC=C2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations