Geometry & MOs

Info

ID:	386858
PubChem CID:	134983161
Reduced:	SiO2C24H24 (1)
Stoich.:	AB2C24D24 (1)
Weight, g/mol:	359.188529
ΔH_f, kcal/mol:	-35.2
Dipole, Da:	1.35
IP(EA), eV:	-9.38(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aS,7aS)-7-methoxy-3-phenyl-2-(2-phenylpropan-2-yl)-3a,7a-dihydro-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations