Geometry & MOs

Info

ID:	30067
PubChem CID:	839414
Reduced:	ClNO5H14C16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	-166.32
Dipole, Da:	4.69
IP(EA), eV:	-8.79(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)O)OC

DOS

IR

Vibrations