Geometry & MOs

Info

ID:	15112
PubChem CID:	429830
Reduced:	NPO2H25C29 (1)
Stoich.:	ABC2D25E29 (1)
Weight, g/mol:	451.170116
ΔH_f, kcal/mol:	23.65
Dipole, Da:	19.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.855608
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[2-(triphenyl-lambda5-phosphanyl)ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCP(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations