Geometry & MOs

Info

ID:	153438
PubChem CID:	56312637
Reduced:	NOF2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	391.135049
ΔH_f, kcal/mol:	-90.74
Dipole, Da:	2.08
IP(EA), eV:	-9.56(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1CC1C2=CC=C(C=C2)F)C3=CC=CC=C3F

DOS

IR

Vibrations