Geometry & MOs

Info

ID:	216434
PubChem CID:	85086237
Reduced:	SO3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	269.227237
ΔH_f, kcal/mol:	-135.78
Dipole, Da:	3.39
IP(EA), eV:	-8.69(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(tributyl-lambda5-phosphanylidene)butanenitrile

Drug info:

PubChemData

Smile

CCC(CSC1=CC=C(C=C1)C)(C(=O)OCC)O

DOS

IR

Vibrations