Geometry & MOs

Info

ID:	230420
PubChem CID:	87570864
Reduced:	FN2O9C24H31 (1)
Stoich.:	AB2C9D24E31 (1)
Weight, g/mol:	363.204573
ΔH_f, kcal/mol:	-388.47
Dipole, Da:	4.29
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-[4-[1-(4-methylphenyl)ethylideneamino]oxybutyl]-1,3-dioxane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC2=C(N(N=C2O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)OC)O)O)O)O)C4CCC4)C)F

DOS

IR

Vibrations