Geometry & MOs

Info

ID:	185060
PubChem CID:	77250046
Reduced:	SN4O5C29H40 (1)
Stoich.:	AB4C5D29E40 (1)
Weight, g/mol:	872.394273
ΔH_f, kcal/mol:	-194.87
Dipole, Da:	5.02
IP(EA), eV:	-8.47(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)CN3CCC(CC3)C(=O)NC(CC4CCCCC4)C(=O)N

DOS

IR

Vibrations