Geometry & MOs

Info

ID:	26157
PubChem CID:	639230
Reduced:	O2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	333.100108
ΔH_f, kcal/mol:	-156.94
Dipole, Da:	2.59
IP(EA), eV:	-10.09(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methyl-5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene

Drug info:

PubChemData

Smile

C[C@H]1CCC/C=C/[C@H](/C=C/[C@@H](/C=C/C(=O)O1)O)O

DOS

IR

Vibrations