Geometry & MOs

Info

ID:	433409
PubChem CID:	135173546
Reduced:	NO3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	346.116486
ΔH_f, kcal/mol:	-259.96
Dipole, Da:	6.38
IP(EA), eV:	-9.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1,3-dioxo-4-(4-oxobutoxy)isoindol-2-yl]acetyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC(=O)CN(C=O)C(=O)C1=C(C=CC=C1OCCCCO)C

DOS

IR

Vibrations