Geometry & MOs

Info

ID:	372897
PubChem CID:	131306677
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	286.95933
ΔH_f, kcal/mol:	-37.53
Dipole, Da:	6.18
IP(EA), eV:	-8.57(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-bromo-7-fluoro-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)C(=O)N(C)C)N

DOS

IR

Vibrations