Geometry & MOs

Info

ID:	187143
PubChem CID:	77535316
Reduced:	ClNO2C11H18 (2)
Stoich.:	ABC2D11E18 (2)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-227.74
Dipole, Da:	7.12
IP(EA), eV:	-8.94(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-6-ene-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(C1CCCNC1)C(=O)C2=CC(=C(C=C2Cl)OC(C)C)OCCCOC.Cl

DOS

IR

Vibrations