Geometry & MOs

Info

ID:	293178
PubChem CID:	117375906
Reduced:	FNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	249.116507
ΔH_f, kcal/mol:	-100.1
Dipole, Da:	2.83
IP(EA), eV:	-9.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-1-(1-isocyanatocyclopentyl)-3-methoxy-5-methylbenzene

Drug info:

PubChemData

Smile

COCC1=C(C=CC(=C1)F)C2(CCCC2)N=C=O

DOS

IR

Vibrations