Geometry & MOs

Info

ID:	294902
PubChem CID:	117503136
Reduced:	BrNF2O2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	316.9863
ΔH_f, kcal/mol:	-116.04
Dipole, Da:	3.81
IP(EA), eV:	-9.52(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3,4-difluoro-2-(1-isocyanatocyclopentyl)phenol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1C2(CCC2)N=C=O)F)Br)F

DOS

IR

Vibrations