Geometry & MOs

Info

ID:	84101
PubChem CID:	49864171
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	313.075036
ΔH_f, kcal/mol:	-78.34
Dipole, Da:	3.15
IP(EA), eV:	-8.7(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-fluorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCCCCCN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations