Geometry & MOs

Info

ID:	272828
PubChem CID:	103760471
Reduced:	BrOF2N2H7C12 (1)
Stoich.:	ABC2D2E7F12 (1)
Weight, g/mol:	248.132491
ΔH_f, kcal/mol:	-74.25
Dipole, Da:	3.36
IP(EA), eV:	-9.54(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethylmorpholin-4-yl)methyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)NC(=O)C2=CC(=CN=C2)F)Br

DOS

IR

Vibrations