Geometry & MOs

Info

ID:	294495
PubChem CID:	117464298
Reduced:	ClNF2O3H8C12 (1)
Stoich.:	ABC2D3E8F12 (1)
Weight, g/mol:	287.052463
ΔH_f, kcal/mol:	-155.43
Dipole, Da:	5.55
IP(EA), eV:	-10.16(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1,3-difluoro-2-(1-isocyanatocyclopentyl)-5-methoxybenzene

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)C2=CC(=NO2)C(=O)O)Cl)(F)F

DOS

IR

Vibrations