Geometry & MOs

Info

ID:	372666
PubChem CID:	131301802
Reduced:	BrN2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	36.29
Dipole, Da:	1.24
IP(EA), eV:	-8.83(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-5-methoxy-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC(CC1=C(C=CC=C1Br)N)C#N

DOS

IR

Vibrations