Geometry & MOs

Info

ID:	222328
PubChem CID:	85296814
Reduced:	O2H6C7 (3)
Stoich.:	A2B6C7 (3)
Weight, g/mol:	370.217551
ΔH_f, kcal/mol:	-171.19
Dipole, Da:	2.39
IP(EA), eV:	-8.26(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[tert-butyl(dimethyl)silyl]oxy-3-formyl-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=CC(=O)C2=C(C=CC3=C2OC(=O)C=C3)O)OC

DOS

IR

Vibrations