Geometry & MOs

Info

ID:	29972
PubChem CID:	838653
Reduced:	FNSO2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-89.27
Dipole, Da:	3.81
IP(EA), eV:	-9.33(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC2=CC=C(C=C2)F)S(=O)(=O)C

DOS

IR

Vibrations