Geometry & MOs

Info

ID:	88628
PubChem CID:	49955776
Reduced:	ClNO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	332.03013
ΔH_f, kcal/mol:	-63.11
Dipole, Da:	5.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784249
Charge, e:	-1

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yloxy)-5-(trifluoromethyl)aniline;chloride

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)OC)OC)N.[Cl-]

DOS

IR

Vibrations