Geometry & MOs

Info

ID:	401283
PubChem CID:	135050815
Reduced:	NO2H16C21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	538.181015
ΔH_f, kcal/mol:	64.06
Dipole, Da:	2.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.492162
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-3-[2-[(triphenyl-lambda5-phosphanylidene)amino]phenyl]-1,2-oxazol-4-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(OC(=[N+]2O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations