Geometry & MOs

Info

ID:	57245
PubChem CID:	22395532
Reduced:	BSO2F4N6H11C13 (1)
Stoich.:	ABC2D4E6F11G13 (1)
Weight, g/mol:	66.04695
ΔH_f, kcal/mol:	-138.97
Dipole, Da:	3.67
IP(EA), eV:	-9.41(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylcyclobutyne

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.C1=CC=C2C(=C1)N=C(S2)NN.C1=CC(=CC=C1[N+]#N)[N+](=O)[O-]

DOS

IR

Vibrations