Geometry & MOs

Info

ID:	217974
PubChem CID:	85088677
Reduced:	O3C27H44 (1)
Stoich.:	A3B27C44 (1)
Weight, g/mol:	416.365431
ΔH_f, kcal/mol:	-173.57
Dipole, Da:	3.13
IP(EA), eV:	-9.2(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-(5,6-dimethylheptan-2-yl)-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-7-ol

Drug info:

PubChemData

Smile

CC(CCC=C(C)C)C1CCC2C1(CCC3C2C(C4C5(C3(CCC(C5)O)C)O4)O)C

DOS

IR

Vibrations