Geometry & MOs

Info

ID:	270066
PubChem CID:	103625012
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	277.092578
ΔH_f, kcal/mol:	-15.96
Dipole, Da:	4.09
IP(EA), eV:	-9.45(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)C(=O)NC2CCC3=CC=CC=C23

DOS

IR

Vibrations