Geometry & MOs

Info

ID:	144946
PubChem CID:	53435742
Reduced:	NO2C26H31 (1)
Stoich.:	AB2C26D31 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-57.27
Dipole, Da:	5.85
IP(EA), eV:	-8.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(=O)CCCN4CCCCC4

DOS

IR

Vibrations