Geometry & MOs

Info

ID:	386080
PubChem CID:	134980717
Reduced:	NC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	366.131468
ΔH_f, kcal/mol:	66.45
Dipole, Da:	5.16
IP(EA), eV:	-9.53(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-ethyl 9-O-methyl (1S,2S,6S,7R)-10,10-dimethoxy-2-methyl-11-oxo-3-oxatricyclo[5.2.2.02,6]undeca-4,8-diene-4,9-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)[C@H]1CC(=C[C@@H](C1(C#N)C#N)C2=CC=CC=C2)C(C)C

DOS

IR

Vibrations