Geometry & MOs

Info

ID:	385845
PubChem CID:	134980135
Reduced:	CrO2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	322.105253
ΔH_f, kcal/mol:	-18.05
Dipole, Da:	2.7
IP(EA), eV:	-7.56(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CC=C[C@H]([C@@H]1C(=[Cr])OC)OC

DOS

IR

Vibrations