Geometry & MOs

Info

ID:	272189
PubChem CID:	103734318
Reduced:	FNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	246.140199
ΔH_f, kcal/mol:	-173.63
Dipole, Da:	1.78
IP(EA), eV:	-9.78(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl(2-propan-2-ylsulfonylethyl)amino]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)OC1=CC(=C(C=C1)C(=O)C)F

DOS

IR

Vibrations