Geometry & MOs

Info

ID:	409527
PubChem CID:	135082309
Reduced:	N6C9H10 (1)
Stoich.:	A6B9C10 (1)
Weight, g/mol:	445.935642
ΔH_f, kcal/mol:	118.12
Dipole, Da:	3.95
IP(EA), eV:	-8.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;cyclobutadiene;deuterio acetate;deuteriocyclobutadiene;iron

Drug info:

PubChemData

Smile

CC1=NC2=CC3=C(C=C2N1C)N=NN3N

DOS

IR

Vibrations