Geometry & MOs

Info

ID:	219258
PubChem CID:	85096745
Reduced:	O6C29H32 (1)
Stoich.:	A6B29C32 (1)
Weight, g/mol:	476.267508
ΔH_f, kcal/mol:	-197.79
Dipole, Da:	5.28
IP(EA), eV:	-9.33(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[3-(1-pentylindol-5-yl)but-2-enoylamino]phenoxy]butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC(CC(CC(=O)CC(=O)OCC2=CC=CC=C2)O)OCC3=CC=CC=C3

DOS

IR

Vibrations