Geometry & MOs

Info

ID:	449158
PubChem CID:	135296456
Reduced:	O5N6C30H32 (1)
Stoich.:	A5B6C30D32 (1)
Weight, g/mol:	535.279469
ΔH_f, kcal/mol:	-66.73
Dipole, Da:	5.39
IP(EA), eV:	-8.77(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dioxopiperidin-3-yl)-N-ethyl-4-[5-[4-(5-formylpyridin-2-yl)piperazin-1-yl]pentoxy]benzamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(NC1=O)C#N)C(=O)C2=C(C=C(C=C2)OCCCCCN3CCN(CC3)C4=NC=C(C=C4)C=O)C=O

DOS

IR

Vibrations