Geometry & MOs

Info

ID:	276051
PubChem CID:	103820174
Reduced:	FN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	281.083413
ΔH_f, kcal/mol:	-130.4
Dipole, Da:	3.09
IP(EA), eV:	-9.1(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)NC(=O)CNCCCCCO

DOS

IR

Vibrations