Geometry & MOs

Info

ID:	292677
PubChem CID:	117356903
Reduced:	BrNC11H16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	242.039065
ΔH_f, kcal/mol:	-7.65
Dipole, Da:	3.47
IP(EA), eV:	-9.15(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4,6-difluoro-1-benzofuran-7-yl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)Br)CC(C)N

DOS

IR

Vibrations