Geometry & MOs

Info

ID:	259949
PubChem CID:	103178328
Reduced:	NO2F3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	281.162708
ΔH_f, kcal/mol:	-231.64
Dipole, Da:	5.7
IP(EA), eV:	-8.8(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Drug info:

PubChemData

Smile

COCCCOCCNC1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations