Geometry & MOs

Info

ID:	12003
PubChem CID:	125788
Reduced:	O3C24H40 (1)
Stoich.:	A3B24C40 (1)
Weight, g/mol:	376.297745
ΔH_f, kcal/mol:	-163.77
Dipole, Da:	2.59
IP(EA), eV:	-9.27(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1S,2R,5S)-3-[(3R)-3-hydroxyoct-1-enyl]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCC[C@H](C=CC1C[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)C2(C)C)O

DOS

IR

Vibrations