Geometry & MOs

Info

ID:	294768
PubChem CID:	117489629
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	304.167459
ΔH_f, kcal/mol:	-125.89
Dipole, Da:	6.41
IP(EA), eV:	-9.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)O)OC)C2=CC(=NN2C)C(=O)O

DOS

IR

Vibrations