Geometry & MOs

Info

ID:	384911
PubChem CID:	134977927
Reduced:	NO3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	471.903955
ΔH_f, kcal/mol:	49.58
Dipole, Da:	4.63
IP(EA), eV:	-9.1(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;cobalt;(4Z)-1-hydroxybicyclo[7.2.1]dodec-4-en-2,6-diyn-12-one

Drug info:

PubChemData

Smile

COC(=O)N1C2C#C/C=C\C#CCC(C2=O)C3=CC=CC=C31

DOS

IR

Vibrations