Geometry & MOs

Info

ID:	21036
PubChem CID:	586895
Reduced:	O3C30H50 (1)
Stoich.:	A3B30C50 (1)
Weight, g/mol:	458.375995
ΔH_f, kcal/mol:	-225.46
Dipole, Da:	1.38
IP(EA), eV:	-9.47(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)CCC1C(C2C(O1)CC3C2(CCC4C3CCC5C4(CCC(C5)OC(=O)C)C)C)C

DOS

IR

Vibrations