Geometry & MOs

Info

ID:	294901
PubChem CID:	117503069
Reduced:	ClFON3H13C16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	316.9863
ΔH_f, kcal/mol:	1.78
Dipole, Da:	2.54
IP(EA), eV:	-8.93(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1,3-difluoro-5-(1-isocyanatocyclobutyl)-4-methoxybenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)C3=C(NN=C3)N)F

DOS

IR

Vibrations