Geometry & MOs

Info

ID:	361154
PubChem CID:	127302098
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-25.23
Dipole, Da:	7.3
IP(EA), eV:	-8.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanoanilino)-N-[(4-piperidin-1-yloxan-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CS2)C(=O)NCC3(CCOCC3)N4CCCCC4

DOS

IR

Vibrations