Geometry & MOs

Info

ID:	34223
PubChem CID:	7890374
Reduced:	N4O6C17H28 (1)
Stoich.:	A4B6C17D28 (1)
Weight, g/mol:	407.209658
ΔH_f, kcal/mol:	-274.83
Dipole, Da:	8.0
IP(EA), eV:	-9.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(2-propan-2-ylphenoxy)acetate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(=O)N(CCOC)C1=C(N(C(=O)NC1=O)CC(C)C)N

DOS

IR

Vibrations