Geometry & MOs

Info

ID:	708
PubChem CID:	3232
Reduced:	O3C20H28 (1)
Stoich.:	A3B20C28 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	-146.92
Dipole, Da:	3.08
IP(EA), eV:	-9.7(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Drug info:

PubChemData

Smile

CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4=O)(C)C(=O)O

DOS

IR

Vibrations