Geometry & MOs

Info

ID:	293716
PubChem CID:	117397360
Reduced:	ClFO2N3H9C10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	257.041898
ΔH_f, kcal/mol:	-32.82
Dipole, Da:	2.54
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1,3-difluoro-4-(1-isocyanatocyclopentyl)benzene

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1F)Cl)C2=NOC(=N2)CN

DOS

IR

Vibrations