Geometry & MOs

Info

ID:	380074
PubChem CID:	134964887
Reduced:	ON2S2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	41.09
Dipole, Da:	6.4
IP(EA), eV:	-8.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-4-oxooctanenitrile

Drug info:

PubChemData

Smile

CS(=NC1=NC2=CC=CC=C2S1)(=O)C3=CC=CC=C3

DOS

IR

Vibrations