Geometry & MOs

Info

ID:	433472
PubChem CID:	135173609
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	779.306747
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	2.27
IP(EA), eV:	-9.41(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[4-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]ethoxy]ethoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@H](C#C)OCCCOCCN

DOS

IR

Vibrations