Geometry & MOs

Info

ID:	29086
PubChem CID:	831493
Reduced:	SN2O4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-142.42
Dipole, Da:	3.78
IP(EA), eV:	-8.58(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN2CCN(CC2)S(=O)(=O)C)OC

DOS

IR

Vibrations