Geometry & MOs

Info

ID:	320773
PubChem CID:	126663315
Reduced:	BrNC14H16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	417.157623
ΔH_f, kcal/mol:	19.01
Dipole, Da:	4.24
IP(EA), eV:	-8.8(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4,5-dimethoxy-2-(4-methoxyphenyl)phenyl]ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=NC2=C3C1CCCC3=C(C(=C2C)Br)C

DOS

IR

Vibrations