Geometry & MOs

Info

ID:

8685

PubChem CID:

80235

Reduced:

NPO2C19H33 (1)

Stoich.:

ABC2D19E33 (1)

Weight, g/mol:

338.224891

ΔHf, kcal/mol:

-53.84

Dipole, Da:

21.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.848055

Charge, e:

 1

Chem-info

IUPAC name:

tributyl-[(4-nitrophenyl)methyl]phosphanium

Drug info:

PubChemData

Smile

CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations