Geometry & MOs

Info

ID:	260856
PubChem CID:	103207059
Reduced:	N2O2F3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	325.069255
ΔH_f, kcal/mol:	-220.64
Dipole, Da:	2.98
IP(EA), eV:	-9.02(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C(COCC(F)(F)F)N)NC1=O

DOS

IR

Vibrations