Geometry & MOs

Info

ID:	406259
PubChem CID:	135077009
Reduced:	NO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	308.071095
ΔH_f, kcal/mol:	-80.75
Dipole, Da:	8.19
IP(EA), eV:	-10.3(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;carbon monoxide;iron(2+);2,4,6-trimethylcycloheptan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)/C=C/C1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations