Geometry & MOs

Info

ID:	266508
PubChem CID:	103567956
Reduced:	FNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	-97.36
Dipole, Da:	7.24
IP(EA), eV:	-9.59(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-(2-oxo-3-phenylpropoxy)benzonitrile

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC=C1F)OC2=CC(=CC(=C2)OC)C#N)O

DOS

IR

Vibrations