Geometry & MOs

Info

ID:	25824
PubChem CID:	631300
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	344.162374
ΔH_f, kcal/mol:	-193.92
Dipole, Da:	4.14
IP(EA), eV:	-9.92(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)O

DOS

IR

Vibrations