Geometry & MOs

Info

ID:	403239
PubChem CID:	135059320
Reduced:	BCl2N2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	268.073559
ΔH_f, kcal/mol:	-70.52
Dipole, Da:	7.83
IP(EA), eV:	-8.49(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-2-phenyl-1-benzofuran-6-carboxylate

Drug info:

PubChemData

Smile

[B-](C1=C(C=C(C=C1C)C)C)(C2=[N+](C=CN2C)C)(Cl)Cl

DOS

IR

Vibrations