Geometry & MOs

Info

ID:	379735
PubChem CID:	134463027
Reduced:	O3C10H13 (2)
Stoich.:	A3B10C13 (2)
Weight, g/mol:	436.04226
ΔH_f, kcal/mol:	-233.11
Dipole, Da:	7.45
IP(EA), eV:	-8.81(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-3-methyl-2-[(4-nitrophenyl)methyl]isoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(C=C2OCCOCCOCCOC)C)C(=C1)C(=O)O

DOS

IR

Vibrations