Geometry & MOs

Info

ID:	292611
PubChem CID:	117356000
Reduced:	ClFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	241.030584
ΔH_f, kcal/mol:	-6.34
Dipole, Da:	3.97
IP(EA), eV:	-9.59(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-cyclopropyloxy-5-fluoro-3-(isocyanatomethyl)benzene

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)Cl)C2=NOC(=N2)CN

DOS

IR

Vibrations