Geometry & MOs

Info

ID:	130469
PubChem CID:	51090918
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	293.142722
ΔH_f, kcal/mol:	-108.93
Dipole, Da:	2.28
IP(EA), eV:	-8.85(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-methylpent-2-enamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCN(CC2)C(=O)CNC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations