Geometry & MOs

Info

ID:	18449
PubChem CID:	541098
Reduced:	O3C29H48 (1)
Stoich.:	A3B29C48 (1)
Weight, g/mol:	444.360345
ΔH_f, kcal/mol:	-223.75
Dipole, Da:	3.93
IP(EA), eV:	-9.41(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7,9,13-trimethyl-6-(3-methylbutyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl] acetate

Drug info:

PubChemData

Smile

CC1C(OC2C1C3(CCC4C(C3C2)CCC5C4(CCC(C5)OC(=O)C)C)C)CCC(C)C

DOS

IR

Vibrations