Geometry & MOs

Info

ID:	388594
PubChem CID:	134989573
Reduced:	COH2N3 (2)
Stoich.:	ABC2D3 (2)
Weight, g/mol:	234.143136
ΔH_f, kcal/mol:	92.38
Dipole, Da:	3.55
IP(EA), eV:	-9.41(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-difluoro-1-methylcyclooctane-1-carboxylate

Drug info:

PubChemData

Smile

C1(=NN(C(=N)[N+](=N1)[O-])O)N

DOS

IR

Vibrations