Geometry & MOs

Info

ID:	217973
PubChem CID:	85088675
Reduced:	O5C25H36 (1)
Stoich.:	A5B25C36 (1)
Weight, g/mol:	416.329045
ΔH_f, kcal/mol:	-250.36
Dipole, Da:	4.44
IP(EA), eV:	-9.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,16-dimethyl-15-(6-methylhept-5-en-2-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane-5,10-diol

Drug info:

PubChemData

Smile

CC1CC(OC12CCC3(C2CC=C4C5C(C3)C(CC5(OC4=O)O)(C)O)C)C=C(C)C

DOS

IR

Vibrations