Geometry & MOs

Info

ID:	133629
PubChem CID:	51565158
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	417.218961
ΔH_f, kcal/mol:	-135.03
Dipole, Da:	3.4
IP(EA), eV:	-9.37(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-2-oxoethyl]-[2-(2-fluorophenoxy)ethyl]azanium

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2CCCCC2)C(=O)CN3C(=O)[C@@H](NC3=O)CC4=CC=CC=C4

DOS

IR

Vibrations