Geometry & MOs

Info

ID:	391338
PubChem CID:	135004387
Reduced:	NOH11C16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	312.029624
ΔH_f, kcal/mol:	73.58
Dipole, Da:	3.33
IP(EA), eV:	-8.75(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;carbon monoxide;iron(2+);(6S)-6-(oxomethoxy)heptan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N=C=O)C#CC2=CC=CC=C2

DOS

IR

Vibrations