Geometry & MOs

Info

ID:	361873
PubChem CID:	127304867
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-14.19
Dipole, Da:	3.42
IP(EA), eV:	-8.52(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzoylpiperidin-3-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN2CCOCC2)C(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations