Geometry & MOs

Info

ID:	387418
PubChem CID:	134985302
Reduced:	N2O8C25H30 (1)
Stoich.:	A2B8C25D30 (1)
Weight, g/mol:	308.98533
ΔH_f, kcal/mol:	-290.89
Dipole, Da:	1.27
IP(EA), eV:	-9.76(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[but-3-ynyl(propan-2-yl)amino]phosphanylideneiron;carbon monoxide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=CCC(=C(C2CN1C(=O)OCC3=CC=CC=C3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations