Geometry & MOs

Info

ID:	206286
PubChem CID:	80225648
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	17.13
Dipole, Da:	5.57
IP(EA), eV:	-8.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-6-propoxypyrimidin-4-yl)-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1C2=NC=NC3=C2C=C(C=C3)N)C)C

DOS

IR

Vibrations