Geometry & MOs

Info

ID:	15106
PubChem CID:	429654
Reduced:	NPO2H21C27 (1)
Stoich.:	ABC2D21E27 (1)
Weight, g/mol:	423.138816
ΔH_f, kcal/mol:	29.73
Dipole, Da:	13.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.798460
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(CN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations