Geometry & MOs

Info

ID:	55768
PubChem CID:	17396476
Reduced:	FNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	-136.93
Dipole, Da:	2.7
IP(EA), eV:	-9.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2F)C(=O)NCC3CCCO3

DOS

IR

Vibrations