Geometry & MOs

Info

ID:	295006
PubChem CID:	117511437
Reduced:	BrNO2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	330.107894
ΔH_f, kcal/mol:	-85.75
Dipole, Da:	1.86
IP(EA), eV:	-8.97(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(C=C1CC(C)(C)N)Br)OC)OC

DOS

IR

Vibrations