Geometry & MOs

Info

ID:	293507
PubChem CID:	117392006
Reduced:	ClFNO3H7C11 (1)
Stoich.:	ABCD3E7F11 (1)
Weight, g/mol:	255.046234
ΔH_f, kcal/mol:	-93.84
Dipole, Da:	3.76
IP(EA), eV:	-9.41(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-fluoro-3-(1-isocyanatocyclopropyl)-5-(methoxymethyl)benzene

Drug info:

PubChemData

Smile

C1CC1(C2=CC3=C(C(=C2F)Cl)OCO3)N=C=O

DOS

IR

Vibrations