Geometry & MOs

Info

ID:	222460
PubChem CID:	85300782
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	334.178024
ΔH_f, kcal/mol:	-152.32
Dipole, Da:	3.0
IP(EA), eV:	-9.33(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)-1-methoxyprop-1-enyl] benzoate

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(CN1C(=O)OC(C)(C)C)C3=CC=CC=C3)O

DOS

IR

Vibrations