Geometry & MOs

Info

ID:	437335
PubChem CID:	135225036
Reduced:	NO10C28H31 (1)
Stoich.:	AB10C28D31 (1)
Weight, g/mol:	256.167459
ΔH_f, kcal/mol:	-379.08
Dipole, Da:	3.53
IP(EA), eV:	-9.0(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H](C[C@@H](O1)C[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O

DOS

IR

Vibrations