Geometry & MOs

Info

ID:	265190
PubChem CID:	103513016
Reduced:	FNO2H6C9 (1)
Stoich.:	ABC2D6E9 (1)
Weight, g/mol:	181.988305
ΔH_f, kcal/mol:	-87.94
Dipole, Da:	2.92
IP(EA), eV:	-9.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloropyridine-4-carbonyl isocyanate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(=O)N=C=O

DOS

IR

Vibrations