Geometry & MOs

Info

ID:	219410
PubChem CID:	85148372
Reduced:	N2O5C28H36 (1)
Stoich.:	A2B5C28D36 (1)
Weight, g/mol:	482.278072
ΔH_f, kcal/mol:	-188.39
Dipole, Da:	3.81
IP(EA), eV:	-8.58(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-[3-(6-ethyl-3-oxo-4-pyrazolidin-3-ylidenecyclohexa-1,5-dien-1-yl)oxypropoxy]-2-propylphenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N(C)C(C(C)C)C(=O)OC)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations