Geometry & MOs

Info

ID:	151132
PubChem CID:	53790830
Reduced:	BNO2C6H13 (1)
Stoich.:	ABC2D6E13 (1)
Weight, g/mol:	346.100523
ΔH_f, kcal/mol:	-95.95
Dipole, Da:	4.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755429
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorophenyl)-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone

Drug info:

PubChemData

Smile

B(=O)CN1CCC(C1)CO

DOS

IR

Vibrations