Geometry & MOs

Info

ID:	296876
PubChem CID:	117598467
Reduced:	ClFN2O6C31H36 (1)
Stoich.:	ABC2D6E31F36 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	-273.4
Dipole, Da:	5.44
IP(EA), eV:	-8.96(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diethylcarbamoyl)bicyclo[2.2.2]octane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations