Geometry & MOs

Info

ID:	220410
PubChem CID:	85182447
Reduced:	O3C14H23 (2)
Stoich.:	A3B14C23 (2)
Weight, g/mol:	478.275066
ΔH_f, kcal/mol:	-313.24
Dipole, Da:	7.36
IP(EA), eV:	-10.19(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3,4-dimethyl-5-(oxan-2-yloxy)-2-(2-trimethylsilylethoxymethoxy)phenyl]-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC(C1CC1)C(C(C(C)C2CCC3C2(CCC4C3COC(=O)C5C4(CC(C(C5)O)O)C)C)O)O

DOS

IR

Vibrations