Geometry & MOs

Info

ID:	198644
PubChem CID:	79129206
Reduced:	SO2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	257.177964
ΔH_f, kcal/mol:	8.82
Dipole, Da:	9.09
IP(EA), eV:	-8.94(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-3-methylpentan-2-yl)-3,4-dihydro-2H-naphthalene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)SCC(=O)NC2=NN=C(O2)C3CC3)N

DOS

IR

Vibrations