Geometry & MOs

Info

ID:	289433
PubChem CID:	104353476
Reduced:	SN3O4C10H19 (1)
Stoich.:	AB3C4D10E19 (1)
Weight, g/mol:	250.154209
ΔH_f, kcal/mol:	-167.93
Dipole, Da:	6.34
IP(EA), eV:	-9.44(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,6-diaminopyrimidin-4-yl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COC(=O)NC1CCN(C1)S(=O)(=O)C2CCNC2

DOS

IR

Vibrations