Geometry & MOs

Info

ID:	292613
PubChem CID:	117356004
Reduced:	ClFNO2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	241.030584
ΔH_f, kcal/mol:	-84.55
Dipole, Da:	2.58
IP(EA), eV:	-9.41(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-fluoro-3-(1-isocyanatocyclopropyl)-2-methoxybenzene

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1C2(CC2)N=C=O)O)F)Cl

DOS

IR

Vibrations