Geometry & MOs

Info

ID:	217294
PubChem CID:	85087568
Reduced:	O5H18C21 (1)
Stoich.:	A5B18C21 (1)
Weight, g/mol:	350.172939
ΔH_f, kcal/mol:	-111.17
Dipole, Da:	2.34
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,10-dihydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl) but-2-enoate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)C#CC=CCOC2=CC=C(C=C2)OC(=O)C

DOS

IR

Vibrations