Geometry & MOs

Info

ID:	45975
PubChem CID:	10519947
Reduced:	NO2H13C22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	323.152144
ΔH_f, kcal/mol:	33.59
Dipole, Da:	2.94
IP(EA), eV:	-8.82(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,4R)-4-phenylmethoxypentan-2-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)OC2=O

DOS

IR

Vibrations