Geometry & MOs

Info

ID:	264139
PubChem CID:	103432098
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	332.04119
ΔH_f, kcal/mol:	13.91
Dipole, Da:	6.31
IP(EA), eV:	-8.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC2=C(C(=C(S2)C(=O)C)N)C#N

DOS

IR

Vibrations