Geometry & MOs

Info

ID:	286709
PubChem CID:	104222116
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-11.35
Dipole, Da:	4.92
IP(EA), eV:	-8.7(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3-trimethyl-4-[5-(propylaminomethyl)pyrimidin-2-yl]piperazin-2-one

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)N2CCN(C(=O)C2(C)C)C

DOS

IR

Vibrations