Geometry & MOs

Info

ID:	293885
PubChem CID:	117409909
Reduced:	N2O4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-90.57
Dipole, Da:	3.5
IP(EA), eV:	-8.51(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-1,3-benzodioxol-5-yl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC\1=C(C(=O)C(=C/C1=C/2\C=C(NN2C)C(=O)O)O)C

DOS

IR

Vibrations