Geometry & MOs

Info

ID:	393699
PubChem CID:	135021492
Reduced:	ClNPH20C24 (1)
Stoich.:	ABCD20E24 (1)
Weight, g/mol:	268.073559
ΔH_f, kcal/mol:	107.0
Dipole, Da:	7.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.949580
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-hydroxy-4-phenyl-1-benzofuran-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](CC2=C(C=CN=C2)Cl)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations