Geometry & MOs

Info

ID:	286707
PubChem CID:	104222114
Reduced:	N4C15H26 (1)
Stoich.:	A4B15C26 (1)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	10.52
Dipole, Da:	1.83
IP(EA), eV:	-8.45(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(aminomethyl)pyrimidin-2-yl]-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1(CCC(CC1)N(C)C2=NC=C(C=N2)CNC)C

DOS

IR

Vibrations