Geometry & MOs

Info

ID:	217935
PubChem CID:	85088613
Reduced:	SiO3C25H36 (1)
Stoich.:	AB3C25D36 (1)
Weight, g/mol:	412.04226
ΔH_f, kcal/mol:	-157.76
Dipole, Da:	4.0
IP(EA), eV:	-8.85(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-bromophenyl)methyl]-3-oxo-1H-isoindol-1-yl]-3-ethoxy-3-hydroxyprop-2-enenitrile

Drug info:

PubChemData

Smile

CC1C(COC1C(C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OC

DOS

IR

Vibrations