Geometry & MOs

Info

ID:	157456
PubChem CID:	56430265
Reduced:	NF3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	391.121986
ΔH_f, kcal/mol:	-247.01
Dipole, Da:	2.62
IP(EA), eV:	-8.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-(4-fluorobenzoyl)benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC(=CC=C2)C(F)(F)F)C(=O)NCC3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations