Geometry & MOs

Info

ID:	391995
PubChem CID:	135011805
Reduced:	NOPH25C32 (1)
Stoich.:	ABCD25E32 (1)
Weight, g/mol:	375.175201
ΔH_f, kcal/mol:	129.13
Dipole, Da:	1.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.954069
Charge, e:	0

Chem-info

IUPAC name:

[(5E)-5-(4-tert-butyl-1,3-oxazolidin-2-ylidene)cyclopenta-1,3-dien-1-yl]-diphenylphosphane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(O/C(=C/3\C=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)/[N-]2)C6=CC=CC=C6

DOS

IR

Vibrations