Geometry & MOs

Info

ID:	265189
PubChem CID:	103512999
Reduced:	O2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	179.038257
ΔH_f, kcal/mol:	-34.52
Dipole, Da:	1.64
IP(EA), eV:	-9.72(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-methylbenzoyl isocyanate

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)C(=O)N=C=O)CC

DOS

IR

Vibrations