Geometry & MOs

Info

ID:

387066

PubChem CID:

134983833

Reduced:

FeNPC12H15 (1)

Stoich.:

ABCD12E15 (1)

Weight, g/mol:

273.036972

ΔHf, kcal/mol:

35.18

Dipole, Da:

1.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.124493

Charge, e:

 0

Chem-info

IUPAC name:

[4-phenylbut-3-ynyl(propan-2-yl)amino]phosphanylideneiron

Drug info:

PubChemData

Smile

CC(C)N(CC#CC1=CC=CC=C1)P=[Fe]

DOS

IR

Vibrations