Geometry & MOs

Info

ID:	294836
PubChem CID:	117499059
Reduced:	BrFO2N3H9C11 (1)
Stoich.:	ABC2D3E9F11 (1)
Weight, g/mol:	312.99497
ΔH_f, kcal/mol:	-46.47
Dipole, Da:	4.09
IP(EA), eV:	-8.62(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-(1-isocyanatocyclopropyl)-4,5-dimethoxyphenol

Drug info:

PubChemData

Smile

C1COC2=C(C(=C(C=C2O1)Br)F)C3=CC(=NN3)N

DOS

IR

Vibrations