Geometry & MOs

Info

ID:	266446
PubChem CID:	103566607
Reduced:	FNO4H10C15 (1)
Stoich.:	ABC4D10E15 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-119.22
Dipole, Da:	5.35
IP(EA), eV:	-9.82(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(ethylamino)-2-hydroxypropoxy]-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OC2=C(C=CC=C2F)C(=O)O

DOS

IR

Vibrations