Geometry & MOs

Info

ID:	386007
PubChem CID:	134980511
Reduced:	NC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	336.120903
ΔH_f, kcal/mol:	65.24
Dipole, Da:	5.05
IP(EA), eV:	-9.58(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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