Geometry & MOs

Info

ID:	286708
PubChem CID:	104222115
Reduced:	ON5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	5.11
IP(EA), eV:	-8.76(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1C2=NC=C(C=N2)CN)C)C

DOS

IR

Vibrations