Geometry & MOs

Info

ID:	84074
PubChem CID:	49863999
Reduced:	BrN2O2H21C24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	407.246044
ΔH_f, kcal/mol:	-1.2
Dipole, Da:	4.51
IP(EA), eV:	-9.06(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[10-(2,6-dimethylphenoxy)decyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)Br

DOS

IR

Vibrations