Geometry & MOs

Info

ID:	170358
PubChem CID:	75220969
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-136.38
Dipole, Da:	5.95
IP(EA), eV:	-9.49(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-(hydroxymethyl)-5,9-dimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2C(C(C=C1CCC(=O)C)O)C(=C)C(=O)O2

DOS

IR

Vibrations