Geometry & MOs

Info

ID:	293717
PubChem CID:	117397393
Reduced:	ClNOF2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	257.041898
ΔH_f, kcal/mol:	-109.95
Dipole, Da:	5.01
IP(EA), eV:	-9.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=C(C(=C(C=C2)F)Cl)F)N=C=O

DOS

IR

Vibrations