Geometry & MOs

Info

ID:	294320
PubChem CID:	117452941
Reduced:	BrNF3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	281.00514
ΔH_f, kcal/mol:	-123.27
Dipole, Da:	0.83
IP(EA), eV:	-9.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-(cyclopropylmethoxy)-3-(isocyanatomethyl)benzene

Drug info:

PubChemData

Smile

CC(CCN)C1=C(C(=C(C=C1F)F)Br)F

DOS

IR

Vibrations