Geometry & MOs

Info

ID:	208232
PubChem CID:	80506581
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	277.165108
ΔH_f, kcal/mol:	34.7
Dipole, Da:	4.5
IP(EA), eV:	-9.51(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C#CC(=O)NCCC(C1=CC=CC=C1)N

DOS

IR

Vibrations