Geometry & MOs

Info

ID:	395444
PubChem CID:	135025494
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	476.256274
ΔH_f, kcal/mol:	-83.92
Dipole, Da:	1.45
IP(EA), eV:	-9.73(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5R,9R,10S)-3-ethenyl-2-[(4-methoxyphenyl)methoxy]-8,8-dimethyl-10-phenylmethoxy-12-oxatricyclo[7.2.1.01,7]dodec-3-en-5-ol

Drug info:

PubChemData

Smile

C[C@H]1CCCC(=O)C1C(C2=CC=CC=C2)O

DOS

IR

Vibrations