Geometry & MOs

Info

ID:	272795
PubChem CID:	103758137
Reduced:	NOSC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	234.116841
ΔH_f, kcal/mol:	14.79
Dipole, Da:	3.89
IP(EA), eV:	-9.49(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[(2-methylmorpholin-4-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

C#CCCCCNC(=O)C1=CC=CS1

DOS

IR

Vibrations