Geometry & MOs

Info

ID:	178811
PubChem CID:	76385721
Reduced:	NO6C25H33 (1)
Stoich.:	AB6C25D33 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-242.9
Dipole, Da:	3.61
IP(EA), eV:	-8.59(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[5-(2-ethoxy-2-oxoethyl)-5H-pyrazolo[5,1-a]isoindol-9-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C(COC2=C(C=C(C=C2)CO)OCC3=CC=CC=C3)O

DOS

IR

Vibrations